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

C8H6BrF2NO3 — CID 119013170

IUPAC2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
SMILESCOc1c(C(=O)O)cc(C(F)F)nc1Br
InChIInChI=1S/C8H6BrF2NO3/c1-15-5-3(8(13)14)2-4(7(10)11)12-6(5)9/h2,7H,1H3,(H,13,14)
InChIKeyOFQRHXBIBGBWLV-UHFFFAOYSA-N
MW282.04 g/mol
LogP2.49
Rot. Bonds3

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

2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid (PubChem CID 119013170) has the molecular formula C8H6BrF2NO3 and a molecular weight of 282.04 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
PubChem CID119013170
Molecular FormulaC8H6BrF2NO3
Molecular Weight282.04 g/mol
Exact Mass280.95
IUPAC Name2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
SMILESCOc1c(C(=O)O)cc(C(F)F)nc1Br
InChIInChI=1S/C8H6BrF2NO3/c1-15-5-3(8(13)14)2-4(7(10)11)12-6(5)9/h2,7H,1H3,(H,13,14)
InChIKeyOFQRHXBIBGBWLV-UHFFFAOYSA-N
XLogP2.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.04
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid
CID 130087967
6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
CID 130100962
2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119002941
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 119019185
methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109771
6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid
CID 130080785
methyl 2-bromo-3-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate
CID 130070389
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride
CID 133105714
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769
2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 119009190
6-(difluoromethyl)-2-fluoro-3-hydroxypyridine-4-carboxylic acid
CID 130079649

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid?
The IUPAC name of 2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid (CID 119013170) is 2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid?
The canonical SMILES for 2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid is COc1c(C(=O)O)cc(C(F)F)nc1Br.
What is the InChIKey of 2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid?
The InChIKey is OFQRHXBIBGBWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO3/c1-15-5-3(8(13)14)2-4(7(10)11)12-6(5)9/h2,7H,1H3,(H,13,14).
What are the key properties of 2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid?
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid has a molecular weight of 282.04 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid is sourced from PubChem (CID 119013170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).