5-bromo-2-chloropyrimidine-4-carbonitrile

C5HBrClN3 — CID 131422349

IUPAC5-bromo-2-chloropyrimidine-4-carbonitrile
SMILESN#Cc1nc(Cl)ncc1Br
InChIInChI=1S/C5HBrClN3/c6-3-2-9-5(7)10-4(3)1-8/h2H
InChIKeyQXJKJKKJZBNKGK-UHFFFAOYSA-N
MW218.44 g/mol
LogP1.76
Rot. Bonds

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

5-bromo-2-chloropyrimidine-4-carbonitrile (PubChem CID 131422349) has the molecular formula C5HBrClN3 and a molecular weight of 218.44 g/mol. Its IUPAC name is 5-bromo-2-chloropyrimidine-4-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-chloropyrimidine-4-carbonitrile
PubChem CID131422349
Molecular FormulaC5HBrClN3
Molecular Weight218.44 g/mol
Exact Mass216.90
IUPAC Name5-bromo-2-chloropyrimidine-4-carbonitrile
SMILESN#Cc1nc(Cl)ncc1Br
InChIInChI=1S/C5HBrClN3/c6-3-2-9-5(7)10-4(3)1-8/h2H
InChIKeyQXJKJKKJZBNKGK-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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Related Compounds

5-Bromo-4-trifluoromethyl-pyrimidin-2-ylamine
CID 45382152
Pyrimidine-4-carbonitrile
CID 10313094
5-Bromo-4-methylpyrimidin-2-amine
CID 18616196
5-Bromo-2-chloro-4-(trifluoromethyl)pyrimidine
CID 11425490
5-Bromo-4-methylpyrimidine
CID 12461863
5-Bromo-2,4-dimethylpyrimidine
CID 12490579
5-Methylpyrimidine-4-carbonitrile
CID 13860984
2-Chloropyrimidine-4-carbonitrile
CID 246647
5-Bromo-4-(trifluoromethyl)pyrimidine
CID 11160494
5-Bromopyrimidine-4-carbonitrile
CID 13860987
5-Bromo-2-chloro-4-methylpyrimidine
CID 20600736
2-Bromopyrimidine-4-carbonitrile
CID 56592991

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyrimidine-4-carbonitrile?
The IUPAC name of 5-bromo-2-chloropyrimidine-4-carbonitrile (CID 131422349) is 5-bromo-2-chloropyrimidine-4-carbonitrile.
What is the SMILES notation for 5-bromo-2-chloropyrimidine-4-carbonitrile?
The canonical SMILES for 5-bromo-2-chloropyrimidine-4-carbonitrile is N#Cc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloropyrimidine-4-carbonitrile?
The InChIKey is QXJKJKKJZBNKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBrClN3/c6-3-2-9-5(7)10-4(3)1-8/h2H.
What are the key properties of 5-bromo-2-chloropyrimidine-4-carbonitrile?
5-bromo-2-chloropyrimidine-4-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-2-chloropyrimidine-4-carbonitrile is sourced from PubChem (CID 131422349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).