2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine

C14H11BrF3N — CID 79755596

IUPAC2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H11BrF3N/c1-8-3-2-6-19-12(8)7-10(15)9-4-5-11(16)14(18)13(9)17/h2-6,10H,7H2,1H3
InChIKeyQSYKVHSSLBLKGS-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.49
Rot. Bonds3

About 2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine

2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine (PubChem CID 79755596) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine
PubChem CID79755596
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H11BrF3N/c1-8-3-2-6-19-12(8)7-10(15)9-4-5-11(16)14(18)13(9)17/h2-6,10H,7H2,1H3
InChIKeyQSYKVHSSLBLKGS-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine
CID 176548848
2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
CID 66454197
2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
CID 82819201
2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine
CID 81284243
2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine
CID 114026722
2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine
CID 66453767
1-(4-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446075
2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine
CID 66453117
2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66453124
2-[2-bromo-2-(3-methoxy-4-methylphenyl)ethyl]-3-methylpyridine
CID 66453543
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
CID 66460997
2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine (CID 79755596) is 2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine is Cc1cccnc1CC(Br)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine?
The InChIKey is QSYKVHSSLBLKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c1-8-3-2-6-19-12(8)7-10(15)9-4-5-11(16)14(18)13(9)17/h2-6,10H,7H2,1H3.
What are the key properties of 2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine?
2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine has a molecular weight of 330.15 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine is sourced from PubChem (CID 79755596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).