5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid

C8H3F3N2O2 — CID 130076275

IUPAC5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(F)nc1C(F)F
InChIInChI=1S/C8H3F3N2O2/c9-6(10)5-3(2-12)1-4(8(14)15)7(11)13-5/h1,6H,(H,14,15)
InChIKeyXDTRYYVYFRSSAY-UHFFFAOYSA-N
MW216.12 g/mol
LogP1.73
Rot. Bonds2

About 5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid

5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid (PubChem CID 130076275) has the molecular formula C8H3F3N2O2 and a molecular weight of 216.12 g/mol. Its IUPAC name is 5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid
PubChem CID130076275
Molecular FormulaC8H3F3N2O2
Molecular Weight216.12 g/mol
Exact Mass216.01
IUPAC Name5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(F)nc1C(F)F
InChIInChI=1S/C8H3F3N2O2/c9-6(10)5-3(2-12)1-4(8(14)15)7(11)13-5/h1,6H,(H,14,15)
InChIKeyXDTRYYVYFRSSAY-UHFFFAOYSA-N
XLogP1.73
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-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

2-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 119004230
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile
CID 130075872
5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133107036
5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 133106197
6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
5-amino-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130103195
methyl 2-chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071371
6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
CID 130076877
5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109029
2-(chloromethyl)-5-cyano-4-(difluoromethyl)benzoic acid
CID 131378683
2-cyano-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 134685781
5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134685714

Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid?
The IUPAC name of 5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid (CID 130076275) is 5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid is N#Cc1cc(C(=O)O)c(F)nc1C(F)F.
What is the InChIKey of 5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid?
The InChIKey is XDTRYYVYFRSSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N2O2/c9-6(10)5-3(2-12)1-4(8(14)15)7(11)13-5/h1,6H,(H,14,15).
What are the key properties of 5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid?
5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid has a molecular weight of 216.12 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 130076275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).