1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

C8H5N3 — CID 10103281

IUPAC1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]ccc2n1
InChIInChI=1S/C8H5N3/c9-5-6-1-2-7-8(11-6)3-4-10-7/h1-4,10H
InChIKeyYSSSUMUGHHKGCO-UHFFFAOYSA-N
MW143.15 g/mol
LogP1.43
Rot. Bonds

About 1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (PubChem CID 10103281) has the molecular formula C8H5N3 and a molecular weight of 143.15 g/mol. Its IUPAC name is 1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
PubChem CID10103281
Molecular FormulaC8H5N3
Molecular Weight143.15 g/mol
Exact Mass143.05
IUPAC Name1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]ccc2n1
InChIInChI=1S/C8H5N3/c9-5-6-1-2-7-8(11-6)3-4-10-7/h1-4,10H
InChIKeyYSSSUMUGHHKGCO-UHFFFAOYSA-N
XLogP1.43
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Azaindole
CID 9226
6-Azaindole
CID 9219
5-Azaindole
CID 9220
1H-indol-3-amine
CID 230280
2-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanamine
CID 22662986
1H-pyrrolo[3,2-b]pyridin-5-amine
CID 22126239
1H-Pyrrolo[3,2-b]pyridine-5-methanamine
CID 12096221
5H-Pyrido(3,2-b)indole
CID 6451402
{1H-pyrrolo[3,2-b]pyridin-2-yl}methanamine
CID 46856478
7-Methyl-1H-pyrrolo(3,2-b)pyridine
CID 11320953
1H-indol-3-amine hydrochloride
CID 12243808
2-{2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl}ethan-1-amine, 23
CID 71463520

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The IUPAC name of 1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (CID 10103281) is 1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The canonical SMILES for 1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is N#Cc1ccc2[nH]ccc2n1.
What is the InChIKey of 1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The InChIKey is YSSSUMUGHHKGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3/c9-5-6-1-2-7-8(11-6)3-4-10-7/h1-4,10H.
What are the key properties of 1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
1H-pyrrolo[3,2-b]pyridine-5-carbonitrile has a molecular weight of 143.15 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is sourced from PubChem (CID 10103281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).