3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine

C6H5ClF3N — CID 18402994

IUPAC3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1NC=CC=C1Cl
InChIInChI=1S/C6H5ClF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3,5,11H
InChIKeyLWXWCCLRODRMSO-UHFFFAOYSA-N
MW183.56 g/mol
LogP2.16
Rot. Bonds

About 3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine

3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 18402994) has the molecular formula C6H5ClF3N and a molecular weight of 183.56 g/mol. Its IUPAC name is 3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID18402994
Molecular FormulaC6H5ClF3N
Molecular Weight183.56 g/mol
Exact Mass183.01
IUPAC Name3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1NC=CC=C1Cl
InChIInChI=1S/C6H5ClF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3,5,11H
InChIKeyLWXWCCLRODRMSO-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.56
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine (CID 18402994) is 3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1NC=CC=C1Cl.
What is the InChIKey of 3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is LWXWCCLRODRMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3,5,11H.
What are the key properties of 3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine?
3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 183.56 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 18402994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).