5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one

C12H9Br2NO — CID 60665584

IUPAC5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccccc1Br
InChIInChI=1S/C12H9Br2NO/c13-10-5-6-12(16)15(8-10)7-9-3-1-2-4-11(9)14/h1-6,8H,7H2
InChIKeyZEPCHYGUSPFCHU-UHFFFAOYSA-N
MW343.02 g/mol
LogP3.42
Rot. Bonds2

About 5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one

5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one (PubChem CID 60665584) has the molecular formula C12H9Br2NO and a molecular weight of 343.02 g/mol. Its IUPAC name is 5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one
PubChem CID60665584
Molecular FormulaC12H9Br2NO
Molecular Weight343.02 g/mol
Exact Mass340.91
IUPAC Name5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccccc1Br
InChIInChI=1S/C12H9Br2NO/c13-10-5-6-12(16)15(8-10)7-9-3-1-2-4-11(9)14/h1-6,8H,7H2
InChIKeyZEPCHYGUSPFCHU-UHFFFAOYSA-N
XLogP3.42
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.02
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one (CID 60665584) is 5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one is O=c1ccc(Br)cn1Cc1ccccc1Br.
What is the InChIKey of 5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one?
The InChIKey is ZEPCHYGUSPFCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO/c13-10-5-6-12(16)15(8-10)7-9-3-1-2-4-11(9)14/h1-6,8H,7H2.
What are the key properties of 5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one?
5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one has a molecular weight of 343.02 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 60665584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).