3-bromo-2-chloropyridine-4-carbonitrile

C6H2BrClN2 — CID 130749452

IUPAC3-bromo-2-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(Cl)c1Br
InChIInChI=1S/C6H2BrClN2/c7-5-4(3-9)1-2-10-6(5)8/h1-2H
InChIKeyLYOQFCKDQDAMHU-UHFFFAOYSA-N
MW217.45 g/mol
LogP2.37
Rot. Bonds

About 3-bromo-2-chloropyridine-4-carbonitrile

3-bromo-2-chloropyridine-4-carbonitrile (PubChem CID 130749452) has the molecular formula C6H2BrClN2 and a molecular weight of 217.45 g/mol. Its IUPAC name is 3-bromo-2-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name3-bromo-2-chloropyridine-4-carbonitrile
PubChem CID130749452
Molecular FormulaC6H2BrClN2
Molecular Weight217.45 g/mol
Exact Mass215.91
IUPAC Name3-bromo-2-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(Cl)c1Br
InChIInChI=1S/C6H2BrClN2/c7-5-4(3-9)1-2-10-6(5)8/h1-2H
InChIKeyLYOQFCKDQDAMHU-UHFFFAOYSA-N
XLogP2.37
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloropyridine-4-carbonitrile?
The IUPAC name of 3-bromo-2-chloropyridine-4-carbonitrile (CID 130749452) is 3-bromo-2-chloropyridine-4-carbonitrile.
What is the SMILES notation for 3-bromo-2-chloropyridine-4-carbonitrile?
The canonical SMILES for 3-bromo-2-chloropyridine-4-carbonitrile is N#Cc1ccnc(Cl)c1Br.
What is the InChIKey of 3-bromo-2-chloropyridine-4-carbonitrile?
The InChIKey is LYOQFCKDQDAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClN2/c7-5-4(3-9)1-2-10-6(5)8/h1-2H.
What are the key properties of 3-bromo-2-chloropyridine-4-carbonitrile?
3-bromo-2-chloropyridine-4-carbonitrile has a molecular weight of 217.45 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloropyridine-4-carbonitrile is sourced from PubChem (CID 130749452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).