2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile

C8H6N4 — CID 84763973

IUPAC2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile
SMILESN#CCc1ccnc2nc[nH]c12
InChIInChI=1S/C8H6N4/c9-3-1-6-2-4-10-8-7(6)11-5-12-8/h2,4-5H,1H2,(H,10,11,12)
InChIKeyRFTWYUNHPWSXCO-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.02
Rot. Bonds1

About 2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile

2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile (PubChem CID 84763973) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile.

Molecular Properties

Compound Name2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile
PubChem CID84763973
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile
SMILESN#CCc1ccnc2nc[nH]c12
InChIInChI=1S/C8H6N4/c9-3-1-6-2-4-10-8-7(6)11-5-12-8/h2,4-5H,1H2,(H,10,11,12)
InChIKeyRFTWYUNHPWSXCO-UHFFFAOYSA-N
XLogP1.02
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazo[4,5-b]pyridin-7-yl)ethanamine
CID 84651366
N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine
CID 112582757
7-methyl-1H-imidazo[4,5-b]pyridine
CID 3966621
7-fluoro-1H-imidazo[4,5-b]pyridine
CID 119084499
2-(2-bromo-3-methyl-4-pyridinyl)acetonitrile
CID 118993108
2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone
CID 126534748
N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 114135100
2-(1,5-naphthyridin-4-yl)acetonitrile
CID 131154765
2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile
CID 84764251
2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)acetonitrile
CID 159099022
2-(7-chloroquinolin-4-yl)acetonitrile
CID 63203863
2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile?
The IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile (CID 84763973) is 2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile.
What is the SMILES notation for 2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile?
The canonical SMILES for 2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile is N#CCc1ccnc2nc[nH]c12.
What is the InChIKey of 2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile?
The InChIKey is RFTWYUNHPWSXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c9-3-1-6-2-4-10-8-7(6)11-5-12-8/h2,4-5H,1H2,(H,10,11,12).
What are the key properties of 2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile?
2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile has a molecular weight of 158.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile is sourced from PubChem (CID 84763973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).