2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine

C14H13Br2N — CID 81488563

IUPAC2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
SMILESCc1ccc(C(Br)Cc2ccccn2)cc1Br
InChIInChI=1S/C14H13Br2N/c1-10-5-6-11(8-13(10)15)14(16)9-12-4-2-3-7-17-12/h2-8,14H,9H2,1H3
InChIKeyFBNFHRMIXDEVKV-UHFFFAOYSA-N
MW355.07 g/mol
LogP4.83
Rot. Bonds3

About 2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine

2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine (PubChem CID 81488563) has the molecular formula C14H13Br2N and a molecular weight of 355.07 g/mol. Its IUPAC name is 2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
PubChem CID81488563
Molecular FormulaC14H13Br2N
Molecular Weight355.07 g/mol
Exact Mass352.94
IUPAC Name2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
SMILESCc1ccc(C(Br)Cc2ccccn2)cc1Br
InChIInChI=1S/C14H13Br2N/c1-10-5-6-11(8-13(10)15)14(16)9-12-4-2-3-7-17-12/h2-8,14H,9H2,1H3
InChIKeyFBNFHRMIXDEVKV-UHFFFAOYSA-N
XLogP4.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.07
LogP ≤ 54.83
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

1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol
CID 81488850
2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine
CID 66454388
2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine
CID 66455038
2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine
CID 79996962
2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
CID 66453744
1-(3-bromo-4-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 105404697
1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene
CID 81476246
2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83972764
2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine
CID 107958138
2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine
CID 79819392
N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 62550641
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine
CID 66453095

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine?
The IUPAC name of 2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine (CID 81488563) is 2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine.
What is the SMILES notation for 2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine?
The canonical SMILES for 2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine is Cc1ccc(C(Br)Cc2ccccn2)cc1Br.
What is the InChIKey of 2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine?
The InChIKey is FBNFHRMIXDEVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N/c1-10-5-6-11(8-13(10)15)14(16)9-12-4-2-3-7-17-12/h2-8,14H,9H2,1H3.
What are the key properties of 2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine?
2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine has a molecular weight of 355.07 g/mol, XLogP of 4.83, 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-(3-bromo-4-methylphenyl)ethyl]pyridine is sourced from PubChem (CID 81488563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).