2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine

C7H7ClF3N — CID 123257853

IUPAC2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1=NC(Cl)CC(C(F)(F)F)=C1
InChIInChI=1S/C7H7ClF3N/c1-4-2-5(7(9,10)11)3-6(8)12-4/h2,6H,3H2,1H3
InChIKeyCEVNJRPJJABERX-UHFFFAOYSA-N
MW197.59 g/mol
LogP2.90
Rot. Bonds

About 2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine

2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 123257853) has the molecular formula C7H7ClF3N and a molecular weight of 197.59 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID123257853
Molecular FormulaC7H7ClF3N
Molecular Weight197.59 g/mol
Exact Mass197.02
IUPAC Name2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1=NC(Cl)CC(C(F)(F)F)=C1
InChIInChI=1S/C7H7ClF3N/c1-4-2-5(7(9,10)11)3-6(8)12-4/h2,6H,3H2,1H3
InChIKeyCEVNJRPJJABERX-UHFFFAOYSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.59
LogP ≤ 52.90
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

3-Chloro-4-(trifluoromethyl)-2,3-dihydropyridine-6-carbonitrile
CID 68266632
3,6-Dichloro-4-(trifluoromethyl)-2,3-dihydropyridine
CID 68266720
2-Chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine-3-carbonitrile
CID 172294904
2-Chloro-4-(trifluoromethyl)-2,3-dihydropyridine
CID 158640110
2,6-Dichloro-4-methyl-2,3-dihydropyridine
CID 123512008

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine (CID 123257853) is 2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine is CC1=NC(Cl)CC(C(F)(F)F)=C1.
What is the InChIKey of 2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is CEVNJRPJJABERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N/c1-4-2-5(7(9,10)11)3-6(8)12-4/h2,6H,3H2,1H3.
What are the key properties of 2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine?
2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 197.59 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 123257853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).