3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride

C8H5BrClF2NO — CID 130069571

IUPAC3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
SMILESCc1cc(C(F)F)nc(C(=O)Cl)c1Br
InChIInChI=1S/C8H5BrClF2NO/c1-3-2-4(8(11)12)13-6(5(3)9)7(10)14/h2,8H,1H3
InChIKeyIKTAKMZKVRBMQG-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.47
Rot. Bonds2

About 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride

3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride (PubChem CID 130069571) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
PubChem CID130069571
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
SMILESCc1cc(C(F)F)nc(C(=O)Cl)c1Br
InChIInChI=1S/C8H5BrClF2NO/c1-3-2-4(8(11)12)13-6(5(3)9)7(10)14/h2,8H,1H3
InChIKeyIKTAKMZKVRBMQG-UHFFFAOYSA-N
XLogP3.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride 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

3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
CID 130069428
methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 130069488
6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carbonyl chloride
CID 133099514
2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069543
6-(difluoromethyl)-3,4-dimethylpyridine-2-carboxamide
CID 130101536
6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride
CID 130080374
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 130068522
ethyl 4-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669270
4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 130074517
6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride
CID 130096534
[2-bromo-6-(difluoromethyl)-4-methyl-3-pyridinyl]methanol
CID 119006188
ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate
CID 133100411

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The IUPAC name of 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride (CID 130069571) is 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride.
What is the SMILES notation for 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The canonical SMILES for 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride is Cc1cc(C(F)F)nc(C(=O)Cl)c1Br.
What is the InChIKey of 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The InChIKey is IKTAKMZKVRBMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c1-3-2-4(8(11)12)13-6(5(3)9)7(10)14/h2,8H,1H3.
What are the key properties of 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride has a molecular weight of 284.49 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride is sourced from PubChem (CID 130069571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).