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

C14H13Br2N — CID 66455489

IUPAC4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine
SMILESCc1cc(Br)ccc1C(Br)Cc1ccncc1
InChIInChI=1S/C14H13Br2N/c1-10-8-12(15)2-3-13(10)14(16)9-11-4-6-17-7-5-11/h2-8,14H,9H2,1H3
InChIKeyRZNCIQBBTWQZSE-UHFFFAOYSA-N
MW355.07 g/mol
LogP4.83
Rot. Bonds3

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

4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine (PubChem CID 66455489) has the molecular formula C14H13Br2N and a molecular weight of 355.07 g/mol. Its IUPAC name is 4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine
PubChem CID66455489
Molecular FormulaC14H13Br2N
Molecular Weight355.07 g/mol
Exact Mass352.94
IUPAC Name4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine
SMILESCc1cc(Br)ccc1C(Br)Cc1ccncc1
InChIInChI=1S/C14H13Br2N/c1-10-8-12(15)2-3-13(10)14(16)9-11-4-6-17-7-5-11/h2-8,14H,9H2,1H3
InChIKeyRZNCIQBBTWQZSE-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-(5-bromo-2-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317484
4-[2-bromo-2-(2,4,5-trimethoxyphenyl)ethyl]pyridine
CID 66454195
4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
CID 63436054
4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine
CID 66453972
1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 115369494
1-(4-bromo-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980728
N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946176
1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene
CID 79730434
[1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105281009
4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 115370103
1-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylethanamine
CID 62791571
4-bromo-2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-chlorobenzene
CID 63542384

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine?
The IUPAC name of 4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine (CID 66455489) is 4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine?
The canonical SMILES for 4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine is Cc1cc(Br)ccc1C(Br)Cc1ccncc1.
What is the InChIKey of 4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine?
The InChIKey is RZNCIQBBTWQZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N/c1-10-8-12(15)2-3-13(10)14(16)9-11-4-6-17-7-5-11/h2-8,14H,9H2,1H3.
What are the key properties of 4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine?
4-[2-bromo-2-(4-bromo-2-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 4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine is sourced from PubChem (CID 66455489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).