5-bromo-4-chloropyrimidine-2-carbonitrile

C5HBrClN3 — CID 130138956

IUPAC5-bromo-4-chloropyrimidine-2-carbonitrile
SMILESN#Cc1ncc(Br)c(Cl)n1
InChIInChI=1S/C5HBrClN3/c6-3-2-9-4(1-8)10-5(3)7/h2H
InChIKeyHYFBHQQMMGKBFU-UHFFFAOYSA-N
MW218.44 g/mol
LogP1.76
Rot. Bonds

About 5-bromo-4-chloropyrimidine-2-carbonitrile

5-bromo-4-chloropyrimidine-2-carbonitrile (PubChem CID 130138956) has the molecular formula C5HBrClN3 and a molecular weight of 218.44 g/mol. Its IUPAC name is 5-bromo-4-chloropyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-4-chloropyrimidine-2-carbonitrile
PubChem CID130138956
Molecular FormulaC5HBrClN3
Molecular Weight218.44 g/mol
Exact Mass216.90
IUPAC Name5-bromo-4-chloropyrimidine-2-carbonitrile
SMILESN#Cc1ncc(Br)c(Cl)n1
InChIInChI=1S/C5HBrClN3/c6-3-2-9-4(1-8)10-5(3)7/h2H
InChIKeyHYFBHQQMMGKBFU-UHFFFAOYSA-N
XLogP1.76
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.44
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloropyrimidine-2-carbonitrile?
The IUPAC name of 5-bromo-4-chloropyrimidine-2-carbonitrile (CID 130138956) is 5-bromo-4-chloropyrimidine-2-carbonitrile.
What is the SMILES notation for 5-bromo-4-chloropyrimidine-2-carbonitrile?
The canonical SMILES for 5-bromo-4-chloropyrimidine-2-carbonitrile is N#Cc1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4-chloropyrimidine-2-carbonitrile?
The InChIKey is HYFBHQQMMGKBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBrClN3/c6-3-2-9-4(1-8)10-5(3)7/h2H.
What are the key properties of 5-bromo-4-chloropyrimidine-2-carbonitrile?
5-bromo-4-chloropyrimidine-2-carbonitrile has a molecular weight of 218.44 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloropyrimidine-2-carbonitrile is sourced from PubChem (CID 130138956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).