2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine

C15H14BrF2N — CID 82819201

IUPAC2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Br)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H14BrF2N/c1-9-4-3-7-19-13(9)8-11(16)14-12(17)6-5-10(2)15(14)18/h3-7,11H,8H2,1-2H3
InChIKeyAXPISQLARHBCAB-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.66
Rot. Bonds3

About 2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine

2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine (PubChem CID 82819201) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
PubChem CID82819201
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Br)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H14BrF2N/c1-9-4-3-7-19-13(9)8-11(16)14-12(17)6-5-10(2)15(14)18/h3-7,11H,8H2,1-2H3
InChIKeyAXPISQLARHBCAB-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine
CID 79755596
2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
CID 66454197
2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine
CID 81284243
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
CID 66460997
3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine
CID 176548848
1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114561348
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-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine
CID 66453767
2-(2-bromo-5-methylhexyl)-3-methylpyridine
CID 66455289
2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine
CID 80538075
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66445906

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine (CID 82819201) is 2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine is Cc1cccnc1CC(Br)c1c(F)ccc(C)c1F.
What is the InChIKey of 2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine?
The InChIKey is AXPISQLARHBCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-9-4-3-7-19-13(9)8-11(16)14-12(17)6-5-10(2)15(14)18/h3-7,11H,8H2,1-2H3.
What are the key properties of 2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine?
2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine has a molecular weight of 326.18 g/mol, XLogP of 4.66, 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-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine is sourced from PubChem (CID 82819201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).