4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine

C15H15Br2N — CID 81488562

IUPAC4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine
SMILESCc1ccc(C(Br)C(C)c2ccncc2)cc1Br
InChIInChI=1S/C15H15Br2N/c1-10-3-4-13(9-14(10)16)15(17)11(2)12-5-7-18-8-6-12/h3-9,11,15H,1-2H3
InChIKeyLZGCANFAENBWDR-UHFFFAOYSA-N
MW369.10 g/mol
LogP5.39
Rot. Bonds3

About 4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine

4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine (PubChem CID 81488562) has the molecular formula C15H15Br2N and a molecular weight of 369.10 g/mol. Its IUPAC name is 4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine
PubChem CID81488562
Molecular FormulaC15H15Br2N
Molecular Weight369.10 g/mol
Exact Mass366.96
IUPAC Name4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine
SMILESCc1ccc(C(Br)C(C)c2ccncc2)cc1Br
InChIInChI=1S/C15H15Br2N/c1-10-3-4-13(9-14(10)16)15(17)11(2)12-5-7-18-8-6-12/h3-9,11,15H,1-2H3
InChIKeyLZGCANFAENBWDR-UHFFFAOYSA-N
XLogP5.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.10
LogP ≤ 55.39
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

4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine
CID 66453944
4-[1-bromo-1-(3-chloro-4-fluorophenyl)propan-2-yl]pyridine
CID 82879487
4-(1-bromo-1-phenylpropan-2-yl)pyridine
CID 66452433
4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine
CID 113396078
2-bromo-4-[bromo-(4-bromophenyl)methyl]-1-methylbenzene
CID 81476813
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
CID 115370365
2-bromo-4-[bromo-(4-butan-2-ylphenyl)methyl]-1-methylbenzene
CID 81476566
2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-methylthiophene
CID 81476406
1-(3-bromo-4-methylphenyl)propane-1,2-diamine
CID 131002270
2,5-dibromo-3-[bromo-(3-bromo-4-methylphenyl)methyl]thiophene
CID 81475828
1-(5-bromo-2-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446193

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine (CID 81488562) is 4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine is Cc1ccc(C(Br)C(C)c2ccncc2)cc1Br.
What is the InChIKey of 4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine?
The InChIKey is LZGCANFAENBWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N/c1-10-3-4-13(9-14(10)16)15(17)11(2)12-5-7-18-8-6-12/h3-9,11,15H,1-2H3.
What are the key properties of 4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine?
4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine has a molecular weight of 369.10 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 81488562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).