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

C8H5N3 — CID 119084030

IUPAC3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(c1)CC=N2
InChIInChI=1S/C8H5N3/c9-4-6-3-7-1-2-10-8(7)11-5-6/h2-3,5H,1H2
InChIKeyYVNWKSMKKYEZQC-UHFFFAOYSA-N
MW143.15 g/mol
LogP1.21
Rot. Bonds

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

3H-pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 119084030) has the molecular formula C8H5N3 and a molecular weight of 143.15 g/mol. Its IUPAC name is 3H-pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID119084030
Molecular FormulaC8H5N3
Molecular Weight143.15 g/mol
Exact Mass143.05
IUPAC Name3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(c1)CC=N2
InChIInChI=1S/C8H5N3/c9-4-6-3-7-1-2-10-8(7)11-5-6/h2-3,5H,1H2
InChIKeyYVNWKSMKKYEZQC-UHFFFAOYSA-N
XLogP1.21
TPSA49.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 66815583
2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
CID 66570659
6-amino-5-cyclopropylpyridine-3-carbonitrile
CID 130050388
5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130095791
(6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 177054072
6-amino-5-(difluoromethyl)pyridine-3-carbonitrile
CID 130094585
1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
CID 170765100
5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
CID 102544875
2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile
CID 123677104
5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134671200
8-hydroxyquinoline-3,6-dicarbonitrile
CID 139640777
2-propan-2-ylpyridine-3,5-dicarbonitrile
CID 10261540

Frequently Asked Questions

What is the IUPAC name of 3H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 3H-pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 119084030) is 3H-pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 3H-pyrrolo[2,3-b]pyridine-5-carbonitrile is N#Cc1cnc2c(c1)CC=N2.
What is the InChIKey of 3H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is YVNWKSMKKYEZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3/c9-4-6-3-7-1-2-10-8(7)11-5-6/h2-3,5H,1H2.
What are the key properties of 3H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
3H-pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 143.15 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 119084030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).