4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile

C14H10N4 — CID 15005396

IUPAC4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
SMILESCc1nc2cccnc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C14H10N4/c1-10-17-13-3-2-8-16-14(13)18(10)12-6-4-11(9-15)5-7-12/h2-8H,1H3
InChIKeyKWZFAXCYTKJXLM-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.60
Rot. Bonds1

About 4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile

4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile (PubChem CID 15005396) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
PubChem CID15005396
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
SMILESCc1nc2cccnc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C14H10N4/c1-10-17-13-3-2-8-16-14(13)18(10)12-6-4-11(9-15)5-7-12/h2-8H,1H3
InChIKeyKWZFAXCYTKJXLM-UHFFFAOYSA-N
XLogP2.60
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
The IUPAC name of 4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile (CID 15005396) is 4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile.
What is the SMILES notation for 4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
The canonical SMILES for 4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile is Cc1nc2cccnc2n1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
The InChIKey is KWZFAXCYTKJXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-10-17-13-3-2-8-16-14(13)18(10)12-6-4-11(9-15)5-7-12/h2-8H,1H3.
What are the key properties of 4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile is sourced from PubChem (CID 15005396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).