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

C14H9ClN4 — CID 82529975

IUPAC2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
SMILESN#CCc1c(-c2ccccn2)nc2cc(Cl)ccn12
InChIInChI=1S/C14H9ClN4/c15-10-5-8-19-12(4-6-16)14(18-13(19)9-10)11-3-1-2-7-17-11/h1-3,5,7-9H,4H2
InChIKeyBQQWUOGCCOZXOT-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.12
Rot. Bonds2

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

2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile (PubChem CID 82529975) has the molecular formula C14H9ClN4 and a molecular weight of 268.71 g/mol. Its IUPAC name is 2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
PubChem CID82529975
Molecular FormulaC14H9ClN4
Molecular Weight268.71 g/mol
Exact Mass268.05
IUPAC Name2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
SMILESN#CCc1c(-c2ccccn2)nc2cc(Cl)ccn12
InChIInChI=1S/C14H9ClN4/c15-10-5-8-19-12(4-6-16)14(18-13(19)9-10)11-3-1-2-7-17-11/h1-3,5,7-9H,4H2
InChIKeyBQQWUOGCCOZXOT-UHFFFAOYSA-N
XLogP3.12
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
The IUPAC name of 2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile (CID 82529975) is 2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile is N#CCc1c(-c2ccccn2)nc2cc(Cl)ccn12.
What is the InChIKey of 2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
The InChIKey is BQQWUOGCCOZXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4/c15-10-5-8-19-12(4-6-16)14(18-13(19)9-10)11-3-1-2-7-17-11/h1-3,5,7-9H,4H2.
What are the key properties of 2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile has a molecular weight of 268.71 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile is sourced from PubChem (CID 82529975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).