6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid

C9H9F2NO4 — CID 130100962

IUPAC6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
SMILESCOc1nc(C(F)F)cc(C(=O)O)c1OC
InChIInChI=1S/C9H9F2NO4/c1-15-6-4(9(13)14)3-5(7(10)11)12-8(6)16-2/h3,7H,1-2H3,(H,13,14)
InChIKeyZZZSEDJHZAJSOZ-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.73
Rot. Bonds4

About 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid

6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid (PubChem CID 130100962) has the molecular formula C9H9F2NO4 and a molecular weight of 233.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
PubChem CID130100962
Molecular FormulaC9H9F2NO4
Molecular Weight233.17 g/mol
Exact Mass233.05
IUPAC Name6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
SMILESCOc1nc(C(F)F)cc(C(=O)O)c1OC
InChIInChI=1S/C9H9F2NO4/c1-15-6-4(9(13)14)3-5(7(10)11)12-8(6)16-2/h3,7H,1-2H3,(H,13,14)
InChIKeyZZZSEDJHZAJSOZ-UHFFFAOYSA-N
XLogP1.73
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid
CID 130087967
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769
2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119002941
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119013170
6-(difluoromethyl)-3-fluoro-2-methoxypyridine-4-carbonyl chloride
CID 133105557
4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid
CID 118845538
6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid
CID 130080785
4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid
CID 118828805
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride
CID 133105714
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233
6-(difluoromethyl)-2-fluoro-3-hydroxypyridine-4-carboxylic acid
CID 130079649

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid (CID 130100962) is 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid is COc1nc(C(F)F)cc(C(=O)O)c1OC.
What is the InChIKey of 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid?
The InChIKey is ZZZSEDJHZAJSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4/c1-15-6-4(9(13)14)3-5(7(10)11)12-8(6)16-2/h3,7H,1-2H3,(H,13,14).
What are the key properties of 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid?
6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid has a molecular weight of 233.17 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid is sourced from PubChem (CID 130100962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).