2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine

C14H12Br2IN — CID 114026722

IUPAC2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Br)c1cc(I)ccc1Br
InChIInChI=1S/C14H12Br2IN/c1-9-3-2-6-18-14(9)8-13(16)11-7-10(17)4-5-12(11)15/h2-7,13H,8H2,1H3
InChIKeyNPUQGOWGNLGUJA-UHFFFAOYSA-N
MW480.97 g/mol
LogP5.44
Rot. Bonds3

About 2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine

2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine (PubChem CID 114026722) has the molecular formula C14H12Br2IN and a molecular weight of 480.97 g/mol. Its IUPAC name is 2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine
PubChem CID114026722
Molecular FormulaC14H12Br2IN
Molecular Weight480.97 g/mol
Exact Mass478.84
IUPAC Name2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Br)c1cc(I)ccc1Br
InChIInChI=1S/C14H12Br2IN/c1-9-3-2-6-18-14(9)8-13(16)11-7-10(17)4-5-12(11)15/h2-7,13H,8H2,1H3
InChIKeyNPUQGOWGNLGUJA-UHFFFAOYSA-N
XLogP5.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.97
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
CID 66454197
2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine
CID 80538075
2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine
CID 79755596
2-[2-bromo-2-(3-chloro-4-iodophenyl)ethyl]-3-methylpyridine
CID 103222629
2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine
CID 66453117
1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 114027773
2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine
CID 66453767
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
1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 115369502
2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
CID 82819201
1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448253

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine (CID 114026722) is 2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine is Cc1cccnc1CC(Br)c1cc(I)ccc1Br.
What is the InChIKey of 2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine?
The InChIKey is NPUQGOWGNLGUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2IN/c1-9-3-2-6-18-14(9)8-13(16)11-7-10(17)4-5-12(11)15/h2-7,13H,8H2,1H3.
What are the key properties of 2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine?
2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine has a molecular weight of 480.97 g/mol, XLogP of 5.44, 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-bromo-5-iodophenyl)ethyl]-3-methylpyridine is sourced from PubChem (CID 114026722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).