5-chloropyrimidine-2-carbonitrile

C5H2ClN3 — CID 820198

IUPAC5-chloropyrimidine-2-carbonitrile
SMILESN#Cc1ncc(Cl)cn1
InChIInChI=1S/C5H2ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
InChIKeyXCZYVEHAGNDPGY-UHFFFAOYSA-N
MW139.54 g/mol
LogP1.00
Rot. Bonds

About 5-chloropyrimidine-2-carbonitrile

5-chloropyrimidine-2-carbonitrile (PubChem CID 820198) has the molecular formula C5H2ClN3 and a molecular weight of 139.54 g/mol. Its IUPAC name is 5-chloropyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-chloropyrimidine-2-carbonitrile
PubChem CID820198
Molecular FormulaC5H2ClN3
Molecular Weight139.54 g/mol
Exact Mass138.99
IUPAC Name5-chloropyrimidine-2-carbonitrile
SMILESN#Cc1ncc(Cl)cn1
InChIInChI=1S/C5H2ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
InChIKeyXCZYVEHAGNDPGY-UHFFFAOYSA-N
XLogP1.00
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.54
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloropyrimidine-2-carbonitrile?
The IUPAC name of 5-chloropyrimidine-2-carbonitrile (CID 820198) is 5-chloropyrimidine-2-carbonitrile.
What is the SMILES notation for 5-chloropyrimidine-2-carbonitrile?
The canonical SMILES for 5-chloropyrimidine-2-carbonitrile is N#Cc1ncc(Cl)cn1.
What is the InChIKey of 5-chloropyrimidine-2-carbonitrile?
The InChIKey is XCZYVEHAGNDPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H.
What are the key properties of 5-chloropyrimidine-2-carbonitrile?
5-chloropyrimidine-2-carbonitrile has a molecular weight of 139.54 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyrimidine-2-carbonitrile is sourced from PubChem (CID 820198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).