3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine

C15H14F3N — CID 176548848

IUPAC3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine
SMILESCc1cccnc1CC(C)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F3N/c1-9-4-3-7-19-13(9)8-10(2)11-5-6-12(16)15(18)14(11)17/h3-7,10H,8H2,1-2H3
InChIKeyUVKBMLGYXIEKJK-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.15
Rot. Bonds3

About 3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine

3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine (PubChem CID 176548848) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine
PubChem CID176548848
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine
SMILESCc1cccnc1CC(C)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F3N/c1-9-4-3-7-19-13(9)8-10(2)11-5-6-12(16)15(18)14(11)17/h3-7,10H,8H2,1-2H3
InChIKeyUVKBMLGYXIEKJK-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine
CID 79755596
3-methyl-2-[(2S)-2-(2-methylphenyl)propyl]pyridine
CID 165410451
2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
CID 82819201
2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
CID 66454197
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
CID 66460997
1-(4-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446075
1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine
CID 103910707
2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine
CID 81284243
1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020683
2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639
1-(3,4-difluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446480
1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 81461099

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine?
The IUPAC name of 3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine (CID 176548848) is 3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine.
What is the SMILES notation for 3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine?
The canonical SMILES for 3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine is Cc1cccnc1CC(C)c1ccc(F)c(F)c1F.
What is the InChIKey of 3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine?
The InChIKey is UVKBMLGYXIEKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-9-4-3-7-19-13(9)8-10(2)11-5-6-12(16)15(18)14(11)17/h3-7,10H,8H2,1-2H3.
What are the key properties of 3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine?
3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine has a molecular weight of 265.28 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine is sourced from PubChem (CID 176548848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).