5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile

C10H5ClN4 — CID 138673708

IUPAC5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cnc(Cl)nc2)c1
InChIInChI=1S/C10H5ClN4/c11-10-14-5-9(6-15-10)8-1-7(2-12)3-13-4-8/h1,3-6H
InChIKeyYQTSDGUTXBYZCB-UHFFFAOYSA-N
MW216.63 g/mol
LogP2.06
Rot. Bonds1

About 5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile

5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile (PubChem CID 138673708) has the molecular formula C10H5ClN4 and a molecular weight of 216.63 g/mol. Its IUPAC name is 5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile
PubChem CID138673708
Molecular FormulaC10H5ClN4
Molecular Weight216.63 g/mol
Exact Mass216.02
IUPAC Name5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cnc(Cl)nc2)c1
InChIInChI=1S/C10H5ClN4/c11-10-14-5-9(6-15-10)8-1-7(2-12)3-13-4-8/h1,3-6H
InChIKeyYQTSDGUTXBYZCB-UHFFFAOYSA-N
XLogP2.06
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile (CID 138673708) is 5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile is N#Cc1cncc(-c2cnc(Cl)nc2)c1.
What is the InChIKey of 5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile?
The InChIKey is YQTSDGUTXBYZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN4/c11-10-14-5-9(6-15-10)8-1-7(2-12)3-13-4-8/h1,3-6H.
What are the key properties of 5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile?
5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile has a molecular weight of 216.63 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 138673708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).