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

C8H6F3NO3 — CID 130080785

IUPAC6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(F)cc(C(F)F)nc1C(=O)O
InChIInChI=1S/C8H6F3NO3/c1-15-6-3(9)2-4(7(10)11)12-5(6)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeyVFNGNHVBTURHGZ-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.87
Rot. Bonds3

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

6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid (PubChem CID 130080785) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid
PubChem CID130080785
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(F)cc(C(F)F)nc1C(=O)O
InChIInChI=1S/C8H6F3NO3/c1-15-6-3(9)2-4(7(10)11)12-5(6)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeyVFNGNHVBTURHGZ-UHFFFAOYSA-N
XLogP1.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-carboxylic acid
CID 119013170
4-(difluoromethyl)-6-iodo-3-methoxypyridine-2-carboxylic acid
CID 118835420
6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carbonyl chloride
CID 133099514
4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 152778193
3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid
CID 130080806
3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
CID 130069428
ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate
CID 133100411
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride
CID 133105714
4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid
CID 118845538

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid (CID 130080785) is 6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid is COc1c(F)cc(C(F)F)nc1C(=O)O.
What is the InChIKey of 6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid?
The InChIKey is VFNGNHVBTURHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-15-6-3(9)2-4(7(10)11)12-5(6)8(13)14/h2,7H,1H3,(H,13,14).
What are the key properties of 6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid?
6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid has a molecular weight of 221.13 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 130080785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).