2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile

C11H11N3 — CID 39127674

IUPAC2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile
SMILESCc1ccn2c(CC#N)c(C)nc2c1
InChIInChI=1S/C11H11N3/c1-8-4-6-14-10(3-5-12)9(2)13-11(14)7-8/h4,6-7H,3H2,1-2H3
InChIKeyFYRFBKYMZCXLOD-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.02
Rot. Bonds1

About 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile

2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile (PubChem CID 39127674) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile
PubChem CID39127674
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile
SMILESCc1ccn2c(CC#N)c(C)nc2c1
InChIInChI=1S/C11H11N3/c1-8-4-6-14-10(3-5-12)9(2)13-11(14)7-8/h4,6-7H,3H2,1-2H3
InChIKeyFYRFBKYMZCXLOD-UHFFFAOYSA-N
XLogP2.02
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
The IUPAC name of 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile (CID 39127674) is 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile is Cc1ccn2c(CC#N)c(C)nc2c1.
What is the InChIKey of 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
The InChIKey is FYRFBKYMZCXLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-8-4-6-14-10(3-5-12)9(2)13-11(14)7-8/h4,6-7H,3H2,1-2H3.
What are the key properties of 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile is sourced from PubChem (CID 39127674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).