1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one

C19H16BrNO2 — CID 10126288

IUPAC1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one
SMILESO=c1c(Br)c(OCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C19H16BrNO2/c20-18-17(23-14-16-9-5-2-6-10-16)11-12-21(19(18)22)13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyVBZTXJCTVYBOKW-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.24
Rot. Bonds5

About 1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one

1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one (PubChem CID 10126288) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is 1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one
PubChem CID10126288
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC Name1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one
SMILESO=c1c(Br)c(OCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C19H16BrNO2/c20-18-17(23-14-16-9-5-2-6-10-16)11-12-21(19(18)22)13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyVBZTXJCTVYBOKW-UHFFFAOYSA-N
XLogP4.24
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(benzyloxy)-2-methyl-4(1H)-pyridinone
CID 660782
3-bromo-1-(3-fluorobenzyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 10194381
3-bromo-4-(2,4-difluorobenzyloxy)-1-(3-fluorobenzyl)pyridin-2(1H)-one
CID 10216550
1-benzyl-4-(benzyloxy)-3-chloropyridin-2(1H)-one
CID 10236731
1-(3-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11155124
1-(4-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11178413
4-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)benzonitrile
CID 11270757
3-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)benzonitrile
CID 11442171
4-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)-N,N-dimethylbenzamide
CID 22050449
3-bromo-4-(2,4-difluorobenzyloxy)-1-(4-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050722
3-bromo-4-(2,4-difluorobenzyloxy)-1-(3-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050741
4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)phenethyl)pyridin-2(1H)-one
CID 44469273

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one (CID 10126288) is 1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one is O=c1c(Br)c(OCc2ccccc2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one?
The InChIKey is VBZTXJCTVYBOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2/c20-18-17(23-14-16-9-5-2-6-10-16)11-12-21(19(18)22)13-15-7-3-1-4-8-15/h1-12H,13-14H2.
What are the key properties of 1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one?
1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one has a molecular weight of 370.25 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-bromo-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 10126288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).