3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid

C9H5F3N2O2 — CID 75176105

IUPAC3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)c(C#N)c(C(=O)O)n1
InChIInChI=1S/C9H5F3N2O2/c1-4-2-6(9(10,11)12)5(3-13)7(14-4)8(15)16/h2H,1H3,(H,15,16)
InChIKeyKVPKECSKFQLWAY-UHFFFAOYSA-N
MW230.14 g/mol
LogP1.98
Rot. Bonds1

About 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid

3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 75176105) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.14 g/mol. Its IUPAC name is 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID75176105
Molecular FormulaC9H5F3N2O2
Molecular Weight230.14 g/mol
Exact Mass230.03
IUPAC Name3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)c(C#N)c(C(=O)O)n1
InChIInChI=1S/C9H5F3N2O2/c1-4-2-6(9(10,11)12)5(3-13)7(14-4)8(15)16/h2H,1H3,(H,15,16)
InChIKeyKVPKECSKFQLWAY-UHFFFAOYSA-N
XLogP1.98
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-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

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid (CID 75176105) is 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid is Cc1cc(C(F)(F)F)c(C#N)c(C(=O)O)n1.
What is the InChIKey of 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is KVPKECSKFQLWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c1-4-2-6(9(10,11)12)5(3-13)7(14-4)8(15)16/h2H,1H3,(H,15,16).
What are the key properties of 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid?
3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 230.14 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 75176105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).