4-bromo-2,6-dichloropyridine-3-carbonitrile

C6HBrCl2N2 — CID 154809886

IUPAC4-bromo-2,6-dichloropyridine-3-carbonitrile
SMILESN#Cc1c(Br)cc(Cl)nc1Cl
InChIInChI=1S/C6HBrCl2N2/c7-4-1-5(8)11-6(9)3(4)2-10/h1H
InChIKeyNVUJBACOJLHBDK-UHFFFAOYSA-N
MW251.90 g/mol
LogP3.02
Rot. Bonds

About 4-bromo-2,6-dichloropyridine-3-carbonitrile

4-bromo-2,6-dichloropyridine-3-carbonitrile (PubChem CID 154809886) has the molecular formula C6HBrCl2N2 and a molecular weight of 251.90 g/mol. Its IUPAC name is 4-bromo-2,6-dichloropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-2,6-dichloropyridine-3-carbonitrile
PubChem CID154809886
Molecular FormulaC6HBrCl2N2
Molecular Weight251.90 g/mol
Exact Mass249.87
IUPAC Name4-bromo-2,6-dichloropyridine-3-carbonitrile
SMILESN#Cc1c(Br)cc(Cl)nc1Cl
InChIInChI=1S/C6HBrCl2N2/c7-4-1-5(8)11-6(9)3(4)2-10/h1H
InChIKeyNVUJBACOJLHBDK-UHFFFAOYSA-N
XLogP3.02
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.90
LogP ≤ 53.02
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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Related Compounds

4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118844616
2,3,6-trichloropyridine-4-carbonitrile
CID 154089690
2,4,6-trichloropyridine-3,5-dicarbonitrile
CID 15206362
4-bromo-2,6-dichloro-3-nitropyridine
CID 118338335
3,6-dibromo-2-chlorobenzonitrile
CID 169336599
8-bromo-2,6-dichloro-3-methylquinoline-4-carbonitrile
CID 170753057
4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile
CID 82094973
3-bromo-6-chloro-5-methylpyridine-2-carbonitrile
CID 86652350
2-amino-6-chloro-4-methylpyridine-3-carbonitrile
CID 5149878
2-bromo-4-chloro-6-(trifluoromethyl)benzonitrile
CID 154667046
6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile
CID 58106161
4-(aminomethyl)-2-bromo-6-chlorobenzonitrile
CID 171013325

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloropyridine-3-carbonitrile?
The IUPAC name of 4-bromo-2,6-dichloropyridine-3-carbonitrile (CID 154809886) is 4-bromo-2,6-dichloropyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-2,6-dichloropyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-2,6-dichloropyridine-3-carbonitrile is N#Cc1c(Br)cc(Cl)nc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloropyridine-3-carbonitrile?
The InChIKey is NVUJBACOJLHBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrCl2N2/c7-4-1-5(8)11-6(9)3(4)2-10/h1H.
What are the key properties of 4-bromo-2,6-dichloropyridine-3-carbonitrile?
4-bromo-2,6-dichloropyridine-3-carbonitrile has a molecular weight of 251.90 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloropyridine-3-carbonitrile is sourced from PubChem (CID 154809886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).