3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid

C9H6F2N2O2 — CID 130078420

IUPAC3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
SMILESCc1c(C(F)F)cnc(C(=O)O)c1C#N
InChIInChI=1S/C9H6F2N2O2/c1-4-5(2-12)7(9(14)15)13-3-6(4)8(10)11/h3,8H,1H3,(H,14,15)
InChIKeyPOMVUEONCWIRIE-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.90
Rot. Bonds2

About 3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid

3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid (PubChem CID 130078420) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
PubChem CID130078420
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
SMILESCc1c(C(F)F)cnc(C(=O)O)c1C#N
InChIInChI=1S/C9H6F2N2O2/c1-4-5(2-12)7(9(14)15)13-3-6(4)8(10)11/h3,8H,1H3,(H,14,15)
InChIKeyPOMVUEONCWIRIE-UHFFFAOYSA-N
XLogP1.90
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyano-5-(difluoromethyl)-4-methylpyridine-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-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130071333
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169
2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130078210
2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 119015603
ethyl 3-bromo-4-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 134677909
4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride
CID 118838566
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
ethyl 4-(bromomethyl)-3-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 133107850
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 118822344
3-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078189
5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095648

Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid (CID 130078420) is 3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid is Cc1c(C(F)F)cnc(C(=O)O)c1C#N.
What is the InChIKey of 3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid?
The InChIKey is POMVUEONCWIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c1-4-5(2-12)7(9(14)15)13-3-6(4)8(10)11/h3,8H,1H3,(H,14,15).
What are the key properties of 3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid?
3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid has a molecular weight of 212.16 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 130078420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).