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

C14H12BrF2N — CID 66454197

IUPAC2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Br)c1ccc(F)cc1F
InChIInChI=1S/C14H12BrF2N/c1-9-3-2-6-18-14(9)8-12(15)11-5-4-10(16)7-13(11)17/h2-7,12H,8H2,1H3
InChIKeyINORPQHIKMAUBO-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.35
Rot. Bonds3

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

2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine (PubChem CID 66454197) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
PubChem CID66454197
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Br)c1ccc(F)cc1F
InChIInChI=1S/C14H12BrF2N/c1-9-3-2-6-18-14(9)8-12(15)11-5-4-10(16)7-13(11)17/h2-7,12H,8H2,1H3
InChIKeyINORPQHIKMAUBO-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.35
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-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
CID 82819201
1-(4-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446075
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-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine
CID 66453117
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene
CID 55219697
3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine
CID 176548848
2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine
CID 66453767
N-[(2,4-difluorophenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 62801368
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 102883527
1-(3,5-difluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448420

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine (CID 66454197) is 2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine is Cc1cccnc1CC(Br)c1ccc(F)cc1F.
What is the InChIKey of 2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine?
The InChIKey is INORPQHIKMAUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-9-3-2-6-18-14(9)8-12(15)11-5-4-10(16)7-13(11)17/h2-7,12H,8H2,1H3.
What are the key properties of 2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine?
2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine has a molecular weight of 312.16 g/mol, XLogP of 4.35, 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-(2,4-difluorophenyl)ethyl]-3-methylpyridine is sourced from PubChem (CID 66454197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).