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

C7H7ClF3N — CID 126635718

IUPAC3-chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1N=CC(C(F)(F)F)=CC1Cl
InChIInChI=1S/C7H7ClF3N/c1-4-6(8)2-5(3-12-4)7(9,10)11/h2-4,6H,1H3
InChIKeyLTRVGOLGQCFXIO-UHFFFAOYSA-N
MW197.59 g/mol
LogP2.56
Rot. Bonds

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

3-chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 126635718) has the molecular formula C7H7ClF3N and a molecular weight of 197.59 g/mol. Its IUPAC name is 3-chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name3-chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID126635718
Molecular FormulaC7H7ClF3N
Molecular Weight197.59 g/mol
Exact Mass197.02
IUPAC Name3-chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1N=CC(C(F)(F)F)=CC1Cl
InChIInChI=1S/C7H7ClF3N/c1-4-6(8)2-5(3-12-4)7(9,10)11/h2-4,6H,1H3
InChIKeyLTRVGOLGQCFXIO-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 3-chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine (CID 126635718) is 3-chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 3-chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 3-chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine is CC1N=CC(C(F)(F)F)=CC1Cl.
What is the InChIKey of 3-chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is LTRVGOLGQCFXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N/c1-4-6(8)2-5(3-12-4)7(9,10)11/h2-4,6H,1H3.
What are the key properties of 3-chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine?
3-chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 197.59 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 126635718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).