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

C7H3F4NO2 — CID 118823505

IUPAC3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid
SMILESO=C(O)c1nc(F)cc(F)c1C(F)F
InChIInChI=1S/C7H3F4NO2/c8-2-1-3(9)12-5(7(13)14)4(2)6(10)11/h1,6H,(H,13,14)
InChIKeyASSNKJXYVKXACE-UHFFFAOYSA-N
MW209.10 g/mol
LogP2.00
Rot. Bonds2

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

3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid (PubChem CID 118823505) has the molecular formula C7H3F4NO2 and a molecular weight of 209.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid
PubChem CID118823505
Molecular FormulaC7H3F4NO2
Molecular Weight209.10 g/mol
Exact Mass209.01
IUPAC Name3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid
SMILESO=C(O)c1nc(F)cc(F)c1C(F)F
InChIInChI=1S/C7H3F4NO2/c8-2-1-3(9)12-5(7(13)14)4(2)6(10)11/h1,6H,(H,13,14)
InChIKeyASSNKJXYVKXACE-UHFFFAOYSA-N
XLogP2.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)-4,6-difluoropyridine-2-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

3-(difluoromethyl)-2,4,6-trifluoropyridine
CID 130088806
4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118845283
2-chloro-3-(difluoromethyl)-6-fluoropyridine-4-carboxylic acid
CID 119004038
4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134674290
3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carboxamide
CID 130081330
4-bromo-3-(difluoromethyl)-6-iodopyridine-2-carboxylic acid
CID 118844256
3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
CID 130080267
3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
CID 118800101
methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate
CID 133105053
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 118814114
3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 130072000
4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 133098511

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid (CID 118823505) is 3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid is O=C(O)c1nc(F)cc(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid?
The InChIKey is ASSNKJXYVKXACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO2/c8-2-1-3(9)12-5(7(13)14)4(2)6(10)11/h1,6H,(H,13,14).
What are the key properties of 3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid?
3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid has a molecular weight of 209.10 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid is sourced from PubChem (CID 118823505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).