3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid

C8H6BrF2NO2 — CID 130069428

IUPAC3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(F)F)nc(C(=O)O)c1Br
InChIInChI=1S/C8H6BrF2NO2/c1-3-2-4(7(10)11)12-6(5(3)9)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeyWSTHCJZNUKCNSF-UHFFFAOYSA-N
MW266.04 g/mol
LogP2.79
Rot. Bonds2

About 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid

3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid (PubChem CID 130069428) has the molecular formula C8H6BrF2NO2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
PubChem CID130069428
Molecular FormulaC8H6BrF2NO2
Molecular Weight266.04 g/mol
Exact Mass264.95
IUPAC Name3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(F)F)nc(C(=O)O)c1Br
InChIInChI=1S/C8H6BrF2NO2/c1-3-2-4(7(10)11)12-6(5(3)9)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeyWSTHCJZNUKCNSF-UHFFFAOYSA-N
XLogP2.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid 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-carbonyl chloride
CID 130069571
methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 130069488
3,6-dibromo-4-methylpyridine-2-carboxylic acid
CID 104546717
6-(difluoromethyl)-3,4-dimethylpyridine-2-carboxamide
CID 130101536
2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069543
6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid
CID 130080785
ethyl 4-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669270
2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 118854402
6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carbonyl chloride
CID 133099514
3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 130069422
[2-bromo-6-(difluoromethyl)-4-methyl-3-pyridinyl]methanol
CID 119006188
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119013170

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid (CID 130069428) is 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid is Cc1cc(C(F)F)nc(C(=O)O)c1Br.
What is the InChIKey of 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid?
The InChIKey is WSTHCJZNUKCNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO2/c1-3-2-4(7(10)11)12-6(5(3)9)8(13)14/h2,7H,1H3,(H,13,14).
What are the key properties of 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid?
3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid has a molecular weight of 266.04 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 130069428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).