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

C6H4Cl2F3N — CID 154525659

IUPAC2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESFC(F)(F)C1=CC(Cl)C(Cl)N=C1
InChIInChI=1S/C6H4Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2,4-5H
InChIKeySQZJZWMYSGOQTF-UHFFFAOYSA-N
MW218.01 g/mol
LogP2.73
Rot. Bonds

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

2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 154525659) has the molecular formula C6H4Cl2F3N and a molecular weight of 218.01 g/mol. Its IUPAC name is 2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID154525659
Molecular FormulaC6H4Cl2F3N
Molecular Weight218.01 g/mol
Exact Mass216.97
IUPAC Name2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESFC(F)(F)C1=CC(Cl)C(Cl)N=C1
InChIInChI=1S/C6H4Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2,4-5H
InChIKeySQZJZWMYSGOQTF-UHFFFAOYSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine (CID 154525659) is 2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine is FC(F)(F)C1=CC(Cl)C(Cl)N=C1.
What is the InChIKey of 2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is SQZJZWMYSGOQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2,4-5H.
What are the key properties of 2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine?
2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 218.01 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 154525659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).