3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid

C8H6F3NO3 — CID 130080806

IUPAC3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid
SMILESCOc1c(F)cnc(C(=O)O)c1C(F)F
InChIInChI=1S/C8H6F3NO3/c1-15-6-3(9)2-12-5(8(13)14)4(6)7(10)11/h2,7H,1H3,(H,13,14)
InChIKeyVEIJJCYSRPMSIM-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.87
Rot. Bonds3

About 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid

3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid (PubChem CID 130080806) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid
PubChem CID130080806
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid
SMILESCOc1c(F)cnc(C(=O)O)c1C(F)F
InChIInChI=1S/C8H6F3NO3/c1-15-6-3(9)2-12-5(8(13)14)4(6)7(10)11/h2,7H,1H3,(H,13,14)
InChIKeyVEIJJCYSRPMSIM-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

methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate
CID 133105353
4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118812541
4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid
CID 118806375
6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid
CID 130080785
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277
2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
CID 133105323
methyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103562
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
4,5-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118800112
4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130099404
methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671357
5-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670456

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid (CID 130080806) is 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid is COc1c(F)cnc(C(=O)O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid?
The InChIKey is VEIJJCYSRPMSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-15-6-3(9)2-12-5(8(13)14)4(6)7(10)11/h2,7H,1H3,(H,13,14).
What are the key properties of 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid?
3-(difluoromethyl)-5-fluoro-4-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 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 130080806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).