4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile

C12H6ClN5 — CID 141139626

IUPAC4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1cncnc1-c1cnc2c(Cl)cccn12
InChIInChI=1S/C12H6ClN5/c13-9-2-1-3-18-10(6-16-12(9)18)11-8(4-14)5-15-7-17-11/h1-3,5-7H
InChIKeyMKCVQISQWHYBBR-UHFFFAOYSA-N
MW255.67 g/mol
LogP2.32
Rot. Bonds1

About 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile

4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile (PubChem CID 141139626) has the molecular formula C12H6ClN5 and a molecular weight of 255.67 g/mol. Its IUPAC name is 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile
PubChem CID141139626
Molecular FormulaC12H6ClN5
Molecular Weight255.67 g/mol
Exact Mass255.03
IUPAC Name4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1cncnc1-c1cnc2c(Cl)cccn12
InChIInChI=1S/C12H6ClN5/c13-9-2-1-3-18-10(6-16-12(9)18)11-8(4-14)5-15-7-17-11/h1-3,5-7H
InChIKeyMKCVQISQWHYBBR-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 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile (CID 141139626) is 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile is N#Cc1cncnc1-c1cnc2c(Cl)cccn12.
What is the InChIKey of 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile?
The InChIKey is MKCVQISQWHYBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN5/c13-9-2-1-3-18-10(6-16-12(9)18)11-8(4-14)5-15-7-17-11/h1-3,5-7H.
What are the key properties of 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile?
4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-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 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 141139626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).