2-(trifluoromethyl)-1,2-dihydropyridine

C6H6F3N — CID 18539792

IUPAC2-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1C=CC=CN1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-5,10H
InChIKeyZOZXVRAMNPUFBW-UHFFFAOYSA-N
MW149.11 g/mol
LogP1.59
Rot. Bonds

About 2-(trifluoromethyl)-1,2-dihydropyridine

2-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 18539792) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID18539792
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name2-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1C=CC=CN1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-5,10H
InChIKeyZOZXVRAMNPUFBW-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(trifluoromethyl)-1,2-dihydropyridine 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-Fluoropicoline
CID 69611625
1,4-Dihydro-6-trifluoromethylpyridine
CID 129823413
Dihydropicoline
CID 5246423
4-(Trifluoromethyl)-1,2-dihydropyridine
CID 18367699
3-Chloro-2-(trifluoromethyl)-1,2-dihydropyridine
CID 18402994
5-(Trifluoromethyl)-1,2-dihydropyridine
CID 19363749
2,6-Bis(trifluoromethyl)-1,2-dihydropyridine
CID 19807243
2-fluoro-1H-pyridine-2-carbonitrile
CID 53434898
2-methylidene-4-(trifluoromethyl)-1H-pyridine
CID 57561963
2-fluoro-4-iodo-2-methyl-1H-pyridine
CID 66673307
2-bromo-2-(trifluoromethyl)-1H-pyridine
CID 66918749
2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine
CID 67600336

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 2-(trifluoromethyl)-1,2-dihydropyridine (CID 18539792) is 2-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 2-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1C=CC=CN1.
What is the InChIKey of 2-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is ZOZXVRAMNPUFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-5,10H.
What are the key properties of 2-(trifluoromethyl)-1,2-dihydropyridine?
2-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 149.11 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 18539792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).