3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile

C9H5N5 — CID 83433381

IUPAC3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile
SMILESN#CCn1c(C#N)nc2cccnc21
InChIInChI=1S/C9H5N5/c10-3-5-14-8(6-11)13-7-2-1-4-12-9(7)14/h1-2,4H,5H2
InChIKeyBNIMQHRAKSZMRJ-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.83
Rot. Bonds1

About 3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile

3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile (PubChem CID 83433381) has the molecular formula C9H5N5 and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile
PubChem CID83433381
Molecular FormulaC9H5N5
Molecular Weight183.17 g/mol
Exact Mass183.05
IUPAC Name3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile
SMILESN#CCn1c(C#N)nc2cccnc21
InChIInChI=1S/C9H5N5/c10-3-5-14-8(6-11)13-7-2-1-4-12-9(7)14/h1-2,4H,5H2
InChIKeyBNIMQHRAKSZMRJ-UHFFFAOYSA-N
XLogP0.83
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile
CID 83415021
3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile
CID 19911521
1-benzylbenzimidazole-2-carbonitrile
CID 15363638
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 15005396
3-benzylimidazo[4,5-b]pyridin-2-amine
CID 79289249
3-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)propanenitrile
CID 46950432
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 67943643
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetonitrile
CID 126457146
3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79289500

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile?
The IUPAC name of 3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile (CID 83433381) is 3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile is N#CCn1c(C#N)nc2cccnc21.
What is the InChIKey of 3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile?
The InChIKey is BNIMQHRAKSZMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5/c10-3-5-14-8(6-11)13-7-2-1-4-12-9(7)14/h1-2,4H,5H2.
What are the key properties of 3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile?
3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile has a molecular weight of 183.17 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile is sourced from PubChem (CID 83433381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).