2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride

C8H5BrClF2NO — CID 130069525

IUPAC2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride
SMILESCc1cnc(Br)c(C(F)F)c1C(=O)Cl
InChIInChI=1S/C8H5BrClF2NO/c1-3-2-13-6(9)5(8(11)12)4(3)7(10)14/h2,8H,1H3
InChIKeyMJKDHGKRTZJEDR-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.47
Rot. Bonds2

About 2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride

2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride (PubChem CID 130069525) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride
PubChem CID130069525
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride
SMILESCc1cnc(Br)c(C(F)F)c1C(=O)Cl
InChIInChI=1S/C8H5BrClF2NO/c1-3-2-13-6(9)5(8(11)12)4(3)7(10)14/h2,8H,1H3
InChIKeyMJKDHGKRTZJEDR-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'}

Analyze 2-bromo-3-(difluoromethyl)-5-methylpyridine-4-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

2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118994788
2-bromo-5-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069537
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide
CID 119016650
2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetic acid
CID 118999569
2-bromo-3-(difluoromethyl)-4-fluoro-5-methylpyridine
CID 119002035
2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 119004021
2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride
CID 118837882
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109853
methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
CID 134673899
5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 130069553
2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine
CID 119021197
2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069543

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride?
The IUPAC name of 2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride (CID 130069525) is 2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride is Cc1cnc(Br)c(C(F)F)c1C(=O)Cl.
What is the InChIKey of 2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride?
The InChIKey is MJKDHGKRTZJEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c1-3-2-13-6(9)5(8(11)12)4(3)7(10)14/h2,8H,1H3.
What are the key properties of 2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride?
2-bromo-3-(difluoromethyl)-5-methylpyridine-4-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-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride is sourced from PubChem (CID 130069525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).