1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one

C18H14BrNO — CID 4689563

IUPAC1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one
SMILESO=c1cccc(-c2ccccc2)n1Cc1ccccc1Br
InChIInChI=1S/C18H14BrNO/c19-16-10-5-4-9-15(16)13-20-17(11-6-12-18(20)21)14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyJPBVSAVTYRVRDW-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.33
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one

1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one (PubChem CID 4689563) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one
PubChem CID4689563
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC Name1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one
SMILESO=c1cccc(-c2ccccc2)n1Cc1ccccc1Br
InChIInChI=1S/C18H14BrNO/c19-16-10-5-4-9-15(16)13-20-17(11-6-12-18(20)21)14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyJPBVSAVTYRVRDW-UHFFFAOYSA-N
XLogP4.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one?
The IUPAC name of 1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one (CID 4689563) is 1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one is O=c1cccc(-c2ccccc2)n1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one?
The InChIKey is JPBVSAVTYRVRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO/c19-16-10-5-4-9-15(16)13-20-17(11-6-12-18(20)21)14-7-2-1-3-8-14/h1-12H,13H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one?
1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one has a molecular weight of 340.22 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-6-phenylpyridin-2-one is sourced from PubChem (CID 4689563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).