3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile

C13H15ClN4 — CID 82143553

IUPAC3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile
SMILESCCCCc1nc2cc(Cl)cnc2n1CCC#N
InChIInChI=1S/C13H15ClN4/c1-2-3-5-12-17-11-8-10(14)9-16-13(11)18(12)7-4-6-15/h8-9H,2-5,7H2,1H3
InChIKeyOVEMZIFFTXWJOJ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.34
Rot. Bonds5

About 3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile

3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile (PubChem CID 82143553) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile
PubChem CID82143553
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile
SMILESCCCCc1nc2cc(Cl)cnc2n1CCC#N
InChIInChI=1S/C13H15ClN4/c1-2-3-5-12-17-11-8-10(14)9-16-13(11)18(12)7-4-6-15/h8-9H,2-5,7H2,1H3
InChIKeyOVEMZIFFTXWJOJ-UHFFFAOYSA-N
XLogP3.34
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 94745997
4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 94758162
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 82143568
4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile
CID 82152005
4-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 94758775
4-(2-butyl-5,6-dichlorobenzimidazol-1-yl)butanenitrile
CID 94757417
3-(2-nonylbenzimidazol-1-yl)propanenitrile
CID 3414189
3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061543
4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 82151993
3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 94745988
2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061730
3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 82143536

Frequently Asked Questions

What is the IUPAC name of 3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile?
The IUPAC name of 3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile (CID 82143553) is 3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile.
What is the SMILES notation for 3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile?
The canonical SMILES for 3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile is CCCCc1nc2cc(Cl)cnc2n1CCC#N.
What is the InChIKey of 3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile?
The InChIKey is OVEMZIFFTXWJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-3-5-12-17-11-8-10(14)9-16-13(11)18(12)7-4-6-15/h8-9H,2-5,7H2,1H3.
What are the key properties of 3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile?
3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile has a molecular weight of 262.74 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile is sourced from PubChem (CID 82143553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).