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

C8H6F3NO3 — CID 118809146

IUPAC2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(F)c(C(F)F)n1
InChIInChI=1S/C8H6F3NO3/c1-15-4-2-3(8(13)14)5(9)6(12-4)7(10)11/h2,7H,1H3,(H,13,14)
InChIKeyCWCZYYCOHFTBPG-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.87
Rot. Bonds3

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

2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid (PubChem CID 118809146) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid
PubChem CID118809146
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(F)c(C(F)F)n1
InChIInChI=1S/C8H6F3NO3/c1-15-4-2-3(8(13)14)5(9)6(12-4)7(10)11/h2,7H,1H3,(H,13,14)
InChIKeyCWCZYYCOHFTBPG-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

2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxamide
CID 118803355
2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid
CID 118815170
2-(difluoromethyl)-3-iodo-6-methoxypyridine-4-carboxamide
CID 118837244
6-amino-2-(difluoromethyl)-3-fluoropyridine-4-carboxylic acid
CID 130104246
methyl 2-(difluoromethyl)-3-hydroxy-6-methoxypyridine-4-carboxylate
CID 133103210
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde
CID 118808991
2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid
CID 134676666
ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate
CID 133085086
2-(difluoromethyl)-4,6-dimethoxypyridine-3-carboxamide
CID 118809246
4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
CID 130097491
4-(difluoromethyl)-2-(6-methoxypyrimidin-4-yl)pyrimidine-5-carboxylic acid
CID 102952603
methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate
CID 133104062

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid (CID 118809146) is 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid is COc1cc(C(=O)O)c(F)c(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid?
The InChIKey is CWCZYYCOHFTBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-15-4-2-3(8(13)14)5(9)6(12-4)7(10)11/h2,7H,1H3,(H,13,14).
What are the key properties of 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid?
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-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 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid is sourced from PubChem (CID 118809146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).