6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine

C6H5ClF3N — CID 123939377

IUPAC6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine
SMILESFC(F)(F)C1=CCC(Cl)=NC1
InChIInChI=1S/C6H5ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1H,2-3H2
InChIKeyIAHPVDPYKTUWCH-UHFFFAOYSA-N
MW183.56 g/mol
LogP2.52
Rot. Bonds

About 6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine

6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine (PubChem CID 123939377) has the molecular formula C6H5ClF3N and a molecular weight of 183.56 g/mol. Its IUPAC name is 6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine.

Molecular Properties

Compound Name6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine
PubChem CID123939377
Molecular FormulaC6H5ClF3N
Molecular Weight183.56 g/mol
Exact Mass183.01
IUPAC Name6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine
SMILESFC(F)(F)C1=CCC(Cl)=NC1
InChIInChI=1S/C6H5ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1H,2-3H2
InChIKeyIAHPVDPYKTUWCH-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.56
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-5-(trifluoromethyl)-2H-pyridine
CID 19778882
4-(Trifluoromethyl)-2,5-dihydropyridine
CID 91046941
(2S)-2-chloro-4-(difluoromethyl)-2,5-dihydropyridine
CID 91203093
6-Chloro-5-fluoro-2,5-dihydropyridine
CID 123494833
6-Chloro-5-(trifluoromethyl)-2,3-dihydropyridine
CID 147904099

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine?
The IUPAC name of 6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine (CID 123939377) is 6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine.
What is the SMILES notation for 6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine?
The canonical SMILES for 6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine is FC(F)(F)C1=CCC(Cl)=NC1.
What is the InChIKey of 6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine?
The InChIKey is IAHPVDPYKTUWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1H,2-3H2.
What are the key properties of 6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine?
6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine has a molecular weight of 183.56 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(trifluoromethyl)-2,5-dihydropyridine is sourced from PubChem (CID 123939377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).