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

C15H15Br2NO — CID 115370365

IUPAC4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
SMILESCOc1cc(Br)ccc1C(Br)C(C)c1ccncc1
InChIInChI=1S/C15H15Br2NO/c1-10(11-5-7-18-8-6-11)15(17)13-4-3-12(16)9-14(13)19-2/h3-10,15H,1-2H3
InChIKeySWJZFWPLFKOXRH-UHFFFAOYSA-N
MW385.10 g/mol
LogP5.09
Rot. Bonds4

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

4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine (PubChem CID 115370365) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
PubChem CID115370365
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
SMILESCOc1cc(Br)ccc1C(Br)C(C)c1ccncc1
InChIInChI=1S/C15H15Br2NO/c1-10(11-5-7-18-8-6-11)15(17)13-4-3-12(16)9-14(13)19-2/h3-10,15H,1-2H3
InChIKeySWJZFWPLFKOXRH-UHFFFAOYSA-N
XLogP5.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.10
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
CID 113296265
4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine
CID 66453944
4-bromo-1-[bromo-(4-propan-2-ylphenyl)methyl]-2-methoxybenzene
CID 115369884
4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66461765
4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine
CID 66453308
1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66448703
1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 115369494
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene
CID 113296148
4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine
CID 81488562
4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine
CID 66459760
(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine (CID 115370365) is 4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine is COc1cc(Br)ccc1C(Br)C(C)c1ccncc1.
What is the InChIKey of 4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine?
The InChIKey is SWJZFWPLFKOXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10(11-5-7-18-8-6-11)15(17)13-4-3-12(16)9-14(13)19-2/h3-10,15H,1-2H3.
What are the key properties of 4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine?
4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine has a molecular weight of 385.10 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 115370365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).