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

C6H5ClF3N — CID 18330364

IUPAC6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC=C(Cl)NC1
InChIInChI=1S/C6H5ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-2,11H,3H2
InChIKeyUMXMJQGVEOIYNJ-UHFFFAOYSA-N
MW183.56 g/mol
LogP2.16
Rot. Bonds

About 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine

6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 18330364) has the molecular formula C6H5ClF3N and a molecular weight of 183.56 g/mol. Its IUPAC name is 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID18330364
Molecular FormulaC6H5ClF3N
Molecular Weight183.56 g/mol
Exact Mass183.01
IUPAC Name6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC=C(Cl)NC1
InChIInChI=1S/C6H5ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-2,11H,3H2
InChIKeyUMXMJQGVEOIYNJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine (CID 18330364) is 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1=CC=C(Cl)NC1.
What is the InChIKey of 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is UMXMJQGVEOIYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-2,11H,3H2.
What are the key properties of 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine?
6-chloro-3-(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 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 18330364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).