3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one

C13H12BrNO2 — CID 114761033

IUPAC3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1cccc(Cn2cccc(Br)c2=O)c1
InChIInChI=1S/C13H12BrNO2/c1-17-11-5-2-4-10(8-11)9-15-7-3-6-12(14)13(15)16/h2-8H,9H2,1H3
InChIKeyVKNRTERKWWPZEO-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.67
Rot. Bonds3

About 3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one

3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one (PubChem CID 114761033) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
PubChem CID114761033
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1cccc(Cn2cccc(Br)c2=O)c1
InChIInChI=1S/C13H12BrNO2/c1-17-11-5-2-4-10(8-11)9-15-7-3-6-12(14)13(15)16/h2-8H,9H2,1H3
InChIKeyVKNRTERKWWPZEO-UHFFFAOYSA-N
XLogP2.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
CID 116624332
3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one
CID 114760943
N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
N-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382898
4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
CID 115576901
3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 54687588
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594
methyl 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoate
CID 106698955
1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one
CID 53161861
5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 66425761
3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one
CID 114761354
3-bromo-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one
CID 114761080

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one (CID 114761033) is 3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one is COc1cccc(Cn2cccc(Br)c2=O)c1.
What is the InChIKey of 3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one?
The InChIKey is VKNRTERKWWPZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-17-11-5-2-4-10(8-11)9-15-7-3-6-12(14)13(15)16/h2-8H,9H2,1H3.
What are the key properties of 3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one?
3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one has a molecular weight of 294.15 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 114761033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).