5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one

C12H9BrINO — CID 66289934

IUPAC5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccc(I)cc1
InChIInChI=1S/C12H9BrINO/c13-10-3-6-12(16)15(8-10)7-9-1-4-11(14)5-2-9/h1-6,8H,7H2
InChIKeyRISVUUTWBULKTH-UHFFFAOYSA-N
MW390.02 g/mol
LogP3.26
Rot. Bonds2

About 5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one

5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one (PubChem CID 66289934) has the molecular formula C12H9BrINO and a molecular weight of 390.02 g/mol. Its IUPAC name is 5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one
PubChem CID66289934
Molecular FormulaC12H9BrINO
Molecular Weight390.02 g/mol
Exact Mass388.89
IUPAC Name5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccc(I)cc1
InChIInChI=1S/C12H9BrINO/c13-10-3-6-12(16)15(8-10)7-9-1-4-11(14)5-2-9/h1-6,8H,7H2
InChIKeyRISVUUTWBULKTH-UHFFFAOYSA-N
XLogP3.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-bromopyridin-2-one
CID 15395936
5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one
CID 102794540
2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
CID 105352152
5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one
CID 155295102
2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-iodophenyl)acetamide
CID 26217273
1-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridin-2-one
CID 28510606
5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one
CID 60665584
5-bromo-1-[(4-fluoro-3-nitrophenyl)methyl]pyridin-2-one
CID 129052076
5-bromo-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyridin-2-one
CID 80611307
5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 47214230
5-bromo-1-(furan-2-ylmethyl)pyridin-2-one
CID 60773320
4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile
CID 66310822

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one (CID 66289934) is 5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one is O=c1ccc(Br)cn1Cc1ccc(I)cc1.
What is the InChIKey of 5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one?
The InChIKey is RISVUUTWBULKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrINO/c13-10-3-6-12(16)15(8-10)7-9-1-4-11(14)5-2-9/h1-6,8H,7H2.
What are the key properties of 5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one?
5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one has a molecular weight of 390.02 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 66289934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).