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

C7H6F3NO2 — CID 166774497

IUPAC4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid
SMILESO=C(O)C1=CC(C(F)(F)F)=CCN1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)4-1-2-11-5(3-4)6(12)13/h1,3,11H,2H2,(H,12,13)
InChIKeyBIOSOXWYTNAJQW-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.05
Rot. Bonds1

About 4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid

4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid (PubChem CID 166774497) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid
PubChem CID166774497
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid
SMILESO=C(O)C1=CC(C(F)(F)F)=CCN1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)4-1-2-11-5(3-4)6(12)13/h1,3,11H,2H2,(H,12,13)
InChIKeyBIOSOXWYTNAJQW-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 4-(trifluoromethyl)-1,2-dihydropyridine-6-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

6-Hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 72215673
2-(Trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid
CID 132072706
2-(2,6-Difluoro-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoro-1,2-dihydropyridine-6-carboxylic acid
CID 153193808
3-Ethyl-4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid
CID 155280949
(2Z)-2-(methylamino)-4-(trifluoromethyl)penta-2,4-dienoic acid
CID 155280967
6-(Trifluoromethyl)-1,2-dihydropyridine-4-carboxylic acid
CID 169939830
(2Z,4E)-2-(methylamino)-4-(trifluoromethyl)hepta-2,4-dienoic acid
CID 171794428
6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 84722345
4-(Difluoromethyl)-3-fluoro-6-hydroxypicolinic acid
CID 118823284
4-(Aminomethyl)-3-(difluoromethyl)-6-hydroxypicolinic acid
CID 118829800
4-(Difluoromethyl)-5-fluoro-6-hydroxypicolinic acid
CID 118845801
4-(Difluoromethyl)-6-hydroxypicolinic acid
CID 118846260

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid?
The IUPAC name of 4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid (CID 166774497) is 4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid?
The canonical SMILES for 4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid is O=C(O)C1=CC(C(F)(F)F)=CCN1.
What is the InChIKey of 4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid?
The InChIKey is BIOSOXWYTNAJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)4-1-2-11-5(3-4)6(12)13/h1,3,11H,2H2,(H,12,13).
What are the key properties of 4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid?
4-(trifluoromethyl)-1,2-dihydropyridine-6-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 4-(trifluoromethyl)-1,2-dihydropyridine-6-carboxylic acid is sourced from PubChem (CID 166774497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).