6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid

C8H6BrF2NO2 — CID 130098199

IUPAC6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CBr)nc1C(F)F
InChIInChI=1S/C8H6BrF2NO2/c9-3-4-1-2-5(8(13)14)6(12-4)7(10)11/h1-2,7H,3H2,(H,13,14)
InChIKeyQLPSOKINNWVMHE-UHFFFAOYSA-N
MW266.04 g/mol
LogP2.61
Rot. Bonds3

About 6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid

6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid (PubChem CID 130098199) has the molecular formula C8H6BrF2NO2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
PubChem CID130098199
Molecular FormulaC8H6BrF2NO2
Molecular Weight266.04 g/mol
Exact Mass264.95
IUPAC Name6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CBr)nc1C(F)F
InChIInChI=1S/C8H6BrF2NO2/c9-3-4-1-2-5(8(13)14)6(12-4)7(10)11/h1-2,7H,3H2,(H,13,14)
InChIKeyQLPSOKINNWVMHE-UHFFFAOYSA-N
XLogP2.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(bromomethyl)-2-(difluoromethyl)pyridine-3-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

2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118815134
5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 130081975
6-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 118991988
6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 134668697
2-[6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130082055
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130081939
2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 130087218
2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130070460
2-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075309
6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
CID 130087214
2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid
CID 162768662
6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
CID 130085231

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid (CID 130098199) is 6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(CBr)nc1C(F)F.
What is the InChIKey of 6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is QLPSOKINNWVMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO2/c9-3-4-1-2-5(8(13)14)6(12-4)7(10)11/h1-2,7H,3H2,(H,13,14).
What are the key properties of 6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid?
6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 266.04 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 130098199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).