2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine

C15H15BrClN — CID 66459993

IUPAC2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Cl)c1cccc(Br)c1C
InChIInChI=1S/C15H15BrClN/c1-10-5-4-8-18-15(10)9-14(17)12-6-3-7-13(16)11(12)2/h3-8,14H,9H2,1-2H3
InChIKeyFCTRQPRMISFHSZ-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.98
Rot. Bonds3

About 2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine

2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine (PubChem CID 66459993) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
PubChem CID66459993
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Cl)c1cccc(Br)c1C
InChIInChI=1S/C15H15BrClN/c1-10-5-4-8-18-15(10)9-14(17)12-6-3-7-13(16)11(12)2/h3-8,14H,9H2,1-2H3
InChIKeyFCTRQPRMISFHSZ-UHFFFAOYSA-N
XLogP4.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.98
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-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639
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
1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020683
1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448253
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-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66460200
3-methyl-2-[(2S)-2-(2-methylphenyl)propyl]pyridine
CID 165410451
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 81454498
2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine
CID 66458987
1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114561348

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine?
The IUPAC name of 2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine (CID 66459993) is 2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine is Cc1cccnc1CC(Cl)c1cccc(Br)c1C.
What is the InChIKey of 2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine?
The InChIKey is FCTRQPRMISFHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-10-5-4-8-18-15(10)9-14(17)12-6-3-7-13(16)11(12)2/h3-8,14H,9H2,1-2H3.
What are the key properties of 2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine?
2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine has a molecular weight of 324.65 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine is sourced from PubChem (CID 66459993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).