2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile

C14H15ClN4 — CID 82143713

IUPAC2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile
SMILESN#CCn1c(C2CCCCC2)nc2cc(Cl)cnc21
InChIInChI=1S/C14H15ClN4/c15-11-8-12-14(17-9-11)19(7-6-16)13(18-12)10-4-2-1-3-5-10/h8-10H,1-5,7H2
InChIKeyVYFMMXBNAJZAJF-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.66
Rot. Bonds2

About 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile

2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile (PubChem CID 82143713) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile
PubChem CID82143713
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile
SMILESN#CCn1c(C2CCCCC2)nc2cc(Cl)cnc21
InChIInChI=1S/C14H15ClN4/c15-11-8-12-14(17-9-11)19(7-6-16)13(18-12)10-4-2-1-3-5-10/h8-10H,1-5,7H2
InChIKeyVYFMMXBNAJZAJF-UHFFFAOYSA-N
XLogP3.66
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile?
The IUPAC name of 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile (CID 82143713) is 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile is N#CCn1c(C2CCCCC2)nc2cc(Cl)cnc21.
What is the InChIKey of 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile?
The InChIKey is VYFMMXBNAJZAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c15-11-8-12-14(17-9-11)19(7-6-16)13(18-12)10-4-2-1-3-5-10/h8-10H,1-5,7H2.
What are the key properties of 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile?
2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile has a molecular weight of 274.75 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile is sourced from PubChem (CID 82143713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).