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

C8H6F3NO3 — CID 118806000

IUPAC4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid
SMILESCOc1nc(F)cc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H6F3NO3/c1-15-7-5(8(13)14)3(6(10)11)2-4(9)12-7/h2,6H,1H3,(H,13,14)
InChIKeyRJGAVSVPTSDQBL-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.87
Rot. Bonds3

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

4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid (PubChem CID 118806000) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid
PubChem CID118806000
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid
SMILESCOc1nc(F)cc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H6F3NO3/c1-15-7-5(8(13)14)3(6(10)11)2-4(9)12-7/h2,6H,1H3,(H,13,14)
InChIKeyRJGAVSVPTSDQBL-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

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylic acid
CID 118812854
4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118828873
2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118804299
4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid
CID 118845538
4-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carbonyl chloride
CID 133101514
4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylic acid
CID 118818405
5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid
CID 130085798
4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid
CID 118828805
methyl 2-(bromomethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 130081987
methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate
CID 133105531
6-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672327
5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid
CID 23233931

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid (CID 118806000) is 4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid is COc1nc(F)cc(C(F)F)c1C(=O)O.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid?
The InChIKey is RJGAVSVPTSDQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-15-7-5(8(13)14)3(6(10)11)2-4(9)12-7/h2,6H,1H3,(H,13,14).
What are the key properties of 4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid?
4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-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 4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 118806000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).