6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid

C7H6F3NO2 — CID 151123184

IUPAC6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid
SMILESO=C(O)C1=CC=C(C(F)(F)F)NC1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-2-1-4(3-11-5)6(12)13/h1-2,11H,3H2,(H,12,13)
InChIKeyMSPWYWBTYPWZIQ-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.05
Rot. Bonds1

About 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid

6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid (PubChem CID 151123184) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid
PubChem CID151123184
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid
SMILESO=C(O)C1=CC=C(C(F)(F)F)NC1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-2-1-4(3-11-5)6(12)13/h1-2,11H,3H2,(H,12,13)
InChIKeyMSPWYWBTYPWZIQ-UHFFFAOYSA-N
XLogP1.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(trifluoromethyl)-1,2-dihydropyridine-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

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid?
The IUPAC name of 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid (CID 151123184) is 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid is O=C(O)C1=CC=C(C(F)(F)F)NC1.
What is the InChIKey of 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid?
The InChIKey is MSPWYWBTYPWZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)5-2-1-4(3-11-5)6(12)13/h1-2,11H,3H2,(H,12,13).
What are the key properties of 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid?
6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid has a molecular weight of 193.12 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 151123184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).