2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine

C14H12BrCl2N — CID 107995639

IUPAC2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H12BrCl2N/c1-9-3-2-6-18-14(9)8-13(17)11-5-4-10(16)7-12(11)15/h2-7,13H,8H2,1H3
InChIKeyIMGXFUVATPQMMI-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.33
Rot. Bonds3

About 2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine

2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine (PubChem CID 107995639) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
PubChem CID107995639
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H12BrCl2N/c1-9-3-2-6-18-14(9)8-13(17)11-5-4-10(16)7-12(11)15/h2-7,13H,8H2,1H3
InChIKeyIMGXFUVATPQMMI-UHFFFAOYSA-N
XLogP5.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.07
LogP ≤ 55.33
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-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459993
1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 114027773
2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine
CID 66460202
2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine
CID 106690733
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-3-methylpyridine
CID 81324998
2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene
CID 114025132
2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine
CID 66458987
(2R)-2-(5-chloro-2-methylphenyl)-N-methyl-3-(3-methyl-2-pyridinyl)propan-1-amine
CID 165410342
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
CID 66460997
2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine
CID 66460598
2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
CID 66454197
2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine
CID 79755596

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine?
The IUPAC name of 2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine (CID 107995639) is 2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine is Cc1cccnc1CC(Cl)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine?
The InChIKey is IMGXFUVATPQMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-9-3-2-6-18-14(9)8-13(17)11-5-4-10(16)7-12(11)15/h2-7,13H,8H2,1H3.
What are the key properties of 2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine?
2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine has a molecular weight of 345.07 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine is sourced from PubChem (CID 107995639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).