2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine

C15H15Br2NO — CID 66452706

IUPAC2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine
SMILESCOc1ccc(Br)c(C(Br)C(C)c2ccccn2)c1
InChIInChI=1S/C15H15Br2NO/c1-10(14-5-3-4-8-18-14)15(17)12-9-11(19-2)6-7-13(12)16/h3-10,15H,1-2H3
InChIKeyKGMBPDURDZDIID-UHFFFAOYSA-N
MW385.10 g/mol
LogP5.09
Rot. Bonds4

About 2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine

2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine (PubChem CID 66452706) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine
PubChem CID66452706
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine
SMILESCOc1ccc(Br)c(C(Br)C(C)c2ccccn2)c1
InChIInChI=1S/C15H15Br2NO/c1-10(14-5-3-4-8-18-14)15(17)12-9-11(19-2)6-7-13(12)16/h3-10,15H,1-2H3
InChIKeyKGMBPDURDZDIID-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
2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66453990
2-[1-bromo-1-(4,5-dibromothiophen-2-yl)propan-2-yl]pyridine
CID 80538097
2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine
CID 66453993
2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66454426
2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
CID 66454421
1-(2-bromo-5-fluorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 66459103
(2,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 62801796
(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine
CID 81393307
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 102883519
2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66454208
2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine
CID 66454217

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine (CID 66452706) is 2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine is COc1ccc(Br)c(C(Br)C(C)c2ccccn2)c1.
What is the InChIKey of 2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine?
The InChIKey is KGMBPDURDZDIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10(14-5-3-4-8-18-14)15(17)12-9-11(19-2)6-7-13(12)16/h3-10,15H,1-2H3.
What are the key properties of 2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine?
2-[1-bromo-1-(2-bromo-5-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 2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66452706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).