1H-Pyrrolo(2,3-b)pyridine
C7H6N2, 118.139 g/mol. Its structure, the values that were measured, the values that were calculated, and where each one came from.
Identifiers
- Molecular formula
- C₇H₆N₂
- Molecular weight
- 118.139 g/mol
- Exact mass
- 118.053098 g/mol
- IUPAC name
- 1H-pyrrolo[2,3-b]pyridine
- c1cnc2[nH]ccc2c1
- InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
- MVXVYAKCVDQRLW-UHFFFAOYSA-N
Measured properties
Values somebody obtained from a sample and published. Where two sources report the same property they are both shown, in the units each used — a disagreement between them is information, and averaging it away would be inventing a number neither one gave.
- LogP
- 1.82
Calculated properties
Derived from the structure rather than from a sample. These are reproducible and they are not measurements: a calculated partition coefficient and a measured one can differ by a long way, and where both exist they are listed apart on purpose.
- Molecular weight
- 118.14 g/mol
- Exact mass
- 118.0530982 Da
- XLogP3
- 1.8
- Polar surface area
- 28.7 Ų
- Complexity
- 103
- H-bond donors
- 1
- H-bond acceptors
- 1
- logP
- 1.5629
- Topological polar surface area
- 28.68 Ų
- H-bond donors
- 1
- H-bond acceptors
- 1
- Rotatable bonds
- 0
- Molar refractivity
- 36.0937 cm³/mol
- Fraction sp³ carbons
- 0
- QED drug-likeness
- 0.5584
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 9
- Total atoms, hydrogen included
- 15
- Rings
- 2
- Aromatic rings
- 2
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Aromatic ring
Aromatic ring (five-membered)
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The systematic name on this record is 1H-pyrrolo[2,3-b]pyridine.
The sources also call it 1H-Pyrrolo[2,3-b]pyridine, 1,7-Diazaindene, 7H-Pyrrolo[2,3-b]pyridine, 1,7-Dideazapurine, 7-Aza-1-pyrindine, 7H-Pyrrolo(2,3-b)pyridine, pyrrolo[2,3-b]pyridine, Pyrrolo(2,3-b)pyridine, QX4465NR9T, NSC-67063, NSC-77951.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as 1H-Pyrrolo(2,3-b)pyridine. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
(6-Chloro-pyridin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)-methanone
formed as a product
C₁₃H₈ClN₃O, 257.68 g/mol.
(2-Bromo-1,3-thiazol-5-yl)(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
formed as a product
C₁₁H₆BrN₃OS, 308.16 g/mol.
1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine
formed as a product
C₁₃H₂₀N₂OSi, 248.402 g/mol.
(4-Chloro-benzyl)-(6-chloro-5-formyl-pyridin-2-yl)-carbamic acid tert-butyl ester
used as a reactant
C₁₈H₁₈Cl₂N₂O₃, 381.259 g/mol.
(4-chloro-benzyl)-6-chloro-5-[hydroxy-(1H-pyrrolo[2,3-b]pyridin-3-yl)-methyl]-pyridin-2-yl-carbamic acid tert-butyl ester
formed as a product
C₂₅H₂₄Cl₂N₄O₃, 499.398 g/mol.
1,2-Dimethoxyethane
used as a reactant
C₄H₁₀O₂, 90.122 g/mol.
Where these values came from
chemistry engine
What this page does not claim
The identifiers are what the source record holds, copied rather than recomputed. Measured values are reported as their source gave them, units and all; calculated values are marked as calculated and are not measurements. Where a field is absent the page says so, because a blank cell reads as a zero and a guessed value reads as a fact.
Nothing here is a hazard assessment, a purity statement or advice about handling a sample. A flash point quoted from a safety database is a number somebody published, not a judgement by us about whether this molecule is safe for what you intend.