2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile

C8H4BrClF2N2 — CID 119006901

IUPAC2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(CCl)nc1Br
InChIInChI=1S/C8H4BrClF2N2/c9-7-4(3-13)1-5(8(11)12)6(2-10)14-7/h1,8H,2H2
InChIKeyVZULSNWBXGNJMI-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.39
Rot. Bonds2

About 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile

2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 119006901) has the molecular formula C8H4BrClF2N2 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID119006901
Molecular FormulaC8H4BrClF2N2
Molecular Weight281.49 g/mol
Exact Mass279.92
IUPAC Name2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(CCl)nc1Br
InChIInChI=1S/C8H4BrClF2N2/c9-7-4(3-13)1-5(8(11)12)6(2-10)14-7/h1,8H,2H2
InChIKeyVZULSNWBXGNJMI-UHFFFAOYSA-N
XLogP3.39
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119012187
2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119021941
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118832450
2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119012331
2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130076123
6-chloro-2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130071179
2-[6-(chloromethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 118826950
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119020031
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119022475
6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 130095122
2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077370

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile (CID 119006901) is 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1cc(C(F)F)c(CCl)nc1Br.
What is the InChIKey of 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is VZULSNWBXGNJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF2N2/c9-7-4(3-13)1-5(8(11)12)6(2-10)14-7/h1,8H,2H2.
What are the key properties of 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 281.49 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 119006901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).