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

C8H5BrClF2NO — CID 130069543

IUPAC2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
SMILESCc1cc(C(F)F)nc(Br)c1C(=O)Cl
InChIInChI=1S/C8H5BrClF2NO/c1-3-2-4(8(11)12)13-6(9)5(3)7(10)14/h2,8H,1H3
InChIKeyDUMDQPOYWZRHEL-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.47
Rot. Bonds2

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

2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride (PubChem CID 130069543) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
PubChem CID130069543
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
SMILESCc1cc(C(F)F)nc(Br)c1C(=O)Cl
InChIInChI=1S/C8H5BrClF2NO/c1-3-2-4(8(11)12)13-6(9)5(3)7(10)14/h2,8H,1H3
InChIKeyDUMDQPOYWZRHEL-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130069571
4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 130074517
[2-bromo-6-(difluoromethyl)-4-methyl-3-pyridinyl]methanol
CID 119006188
3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
CID 130069428
6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carbonyl chloride
CID 133099514
ethyl 2-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134662497
2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride
CID 130069525
6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102254
5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130074499
methyl 4-bromo-6-(difluoromethyl)-2-methylpyridine-3-carboxylate
CID 130069478
2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118993248
methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 130069488

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride?
The IUPAC name of 2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride (CID 130069543) is 2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride?
The canonical SMILES for 2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride is Cc1cc(C(F)F)nc(Br)c1C(=O)Cl.
What is the InChIKey of 2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride?
The InChIKey is DUMDQPOYWZRHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c1-3-2-4(8(11)12)13-6(9)5(3)7(10)14/h2,8H,1H3.
What are the key properties of 2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride?
2-bromo-6-(difluoromethyl)-4-methylpyridine-3-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 2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride is sourced from PubChem (CID 130069543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).