2-imidazo[1,2-a]pyridin-2-ylacetonitrile

C9H7N3 — CID 593901

IUPAC2-imidazo[1,2-a]pyridin-2-ylacetonitrile
SMILESN#CCc1cn2ccccc2n1
InChIInChI=1S/C9H7N3/c10-5-4-8-7-12-6-2-1-3-9(12)11-8/h1-3,6-7H,4H2
InChIKeyCXZHNWWRSSGXHY-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.40
Rot. Bonds1

About 2-imidazo[1,2-a]pyridin-2-ylacetonitrile

2-imidazo[1,2-a]pyridin-2-ylacetonitrile (PubChem CID 593901) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-2-ylacetonitrile.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-2-ylacetonitrile
PubChem CID593901
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name2-imidazo[1,2-a]pyridin-2-ylacetonitrile
SMILESN#CCc1cn2ccccc2n1
InChIInChI=1S/C9H7N3/c10-5-4-8-7-12-6-2-1-3-9(12)11-8/h1-3,6-7H,4H2
InChIKeyCXZHNWWRSSGXHY-UHFFFAOYSA-N
XLogP1.40
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-2-ylacetonitrile?
The IUPAC name of 2-imidazo[1,2-a]pyridin-2-ylacetonitrile (CID 593901) is 2-imidazo[1,2-a]pyridin-2-ylacetonitrile.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-2-ylacetonitrile?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-2-ylacetonitrile is N#CCc1cn2ccccc2n1.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-2-ylacetonitrile?
The InChIKey is CXZHNWWRSSGXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c10-5-4-8-7-12-6-2-1-3-9(12)11-8/h1-3,6-7H,4H2.
What are the key properties of 2-imidazo[1,2-a]pyridin-2-ylacetonitrile?
2-imidazo[1,2-a]pyridin-2-ylacetonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-2-ylacetonitrile is sourced from PubChem (CID 593901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).