5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine

C6H4Cl2F3N — CID 19975252

IUPAC5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC(Cl)=C(Cl)NC1
InChIInChI=1S/C6H4Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1,12H,2H2
InChIKeyRMHLYFRFEDRNDC-UHFFFAOYSA-N
MW218.00 g/mol
LogP2.72
Rot. Bonds

About 5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine

5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 19975252) has the molecular formula C6H4Cl2F3N and a molecular weight of 218.00 g/mol. Its IUPAC name is 5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID19975252
Molecular FormulaC6H4Cl2F3N
Molecular Weight218.00 g/mol
Exact Mass216.97
IUPAC Name5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC(Cl)=C(Cl)NC1
InChIInChI=1S/C6H4Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1,12H,2H2
InChIKeyRMHLYFRFEDRNDC-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.00
LogP ≤ 52.72
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 5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine (CID 19975252) is 5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1=CC(Cl)=C(Cl)NC1.
What is the InChIKey of 5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is RMHLYFRFEDRNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1,12H,2H2.
What are the key properties of 5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine?
5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 218.00 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 19975252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).