3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile

C12H6ClN5 — CID 139344776

IUPAC3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2ncc(-c3nccc(Cl)n3)n2c1
InChIInChI=1S/C12H6ClN5/c13-10-3-4-15-12(17-10)9-6-16-11-2-1-8(5-14)7-18(9)11/h1-4,6-7H
InChIKeyKPXBRRGQJJIEKD-UHFFFAOYSA-N
MW255.67 g/mol
LogP2.32
Rot. Bonds1

About 3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile

3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 139344776) has the molecular formula C12H6ClN5 and a molecular weight of 255.67 g/mol. Its IUPAC name is 3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID139344776
Molecular FormulaC12H6ClN5
Molecular Weight255.67 g/mol
Exact Mass255.03
IUPAC Name3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2ncc(-c3nccc(Cl)n3)n2c1
InChIInChI=1S/C12H6ClN5/c13-10-3-4-15-12(17-10)9-6-16-11-2-1-8(5-14)7-18(9)11/h1-4,6-7H
InChIKeyKPXBRRGQJJIEKD-UHFFFAOYSA-N
XLogP2.32
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile (CID 139344776) is 3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile is N#Cc1ccc2ncc(-c3nccc(Cl)n3)n2c1.
What is the InChIKey of 3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is KPXBRRGQJJIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN5/c13-10-3-4-15-12(17-10)9-6-16-11-2-1-8(5-14)7-18(9)11/h1-4,6-7H.
What are the key properties of 3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?
3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 255.67 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 139344776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).