2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine

C6H5ClF3N — CID 158640110

IUPAC2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine
SMILESFC(F)(F)C1=CC=NC(Cl)C1
InChIInChI=1S/C6H5ClF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-2,5H,3H2
InChIKeyIAGPPLQNNWORRE-UHFFFAOYSA-N
MW183.56 g/mol
LogP2.51
Rot. Bonds

About 2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine

2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 158640110) has the molecular formula C6H5ClF3N and a molecular weight of 183.56 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID158640110
Molecular FormulaC6H5ClF3N
Molecular Weight183.56 g/mol
Exact Mass183.01
IUPAC Name2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine
SMILESFC(F)(F)C1=CC=NC(Cl)C1
InChIInChI=1S/C6H5ClF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-2,5H,3H2
InChIKeyIAGPPLQNNWORRE-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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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Related Compounds

2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine
CID 23053233
3,6-Dichloro-4-(trifluoromethyl)-2,3-dihydropyridine
CID 68266720
3-Chloro-5-(trifluoromethyl)-2,3-dihydropyridine
CID 70234962
2,3-dichloro-3-(trifluoromethyl)-2H-pyridine
CID 70348900
2-Chloro-3-fluoro-5-methyl-2,3-dihydropyridine
CID 89289661
(2S)-2-chloro-4-(difluoromethyl)-2,5-dihydropyridine
CID 91203093
2-Chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine
CID 123257853
2-Chloro-4-fluoro-2,3-dihydropyridine
CID 163517981
2,3-Dichloro-5-(trifluoromethyl)-2,3-dihydropyridine
CID 154525659
3-Chloro-4-methyl-2,3-dihydropyridine
CID 89891674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine (CID 158640110) is 2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine is FC(F)(F)C1=CC=NC(Cl)C1.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is IAGPPLQNNWORRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-2,5H,3H2.
What are the key properties of 2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine?
2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 183.56 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 158640110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).