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

C6H5ClF3N — CID 70234962

IUPAC3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESFC(F)(F)C1=CC(Cl)CN=C1
InChIInChI=1S/C6H5ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-2,5H,3H2
InChIKeyQLAWNQHPPKPDCJ-UHFFFAOYSA-N
MW183.56 g/mol
LogP2.17
Rot. Bonds

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

3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 70234962) has the molecular formula C6H5ClF3N and a molecular weight of 183.56 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID70234962
Molecular FormulaC6H5ClF3N
Molecular Weight183.56 g/mol
Exact Mass183.01
IUPAC Name3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESFC(F)(F)C1=CC(Cl)CN=C1
InChIInChI=1S/C6H5ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-2,5H,3H2
InChIKeyQLAWNQHPPKPDCJ-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine (CID 70234962) is 3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine is FC(F)(F)C1=CC(Cl)CN=C1.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is QLAWNQHPPKPDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-2,5H,3H2.
What are the key properties of 3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine?
3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 183.56 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 70234962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).