5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid

C18H12BrNO3 — CID 134330987

IUPAC5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)c(Br)c(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H12BrNO3/c19-15-13(11-7-3-1-4-8-11)14(18(22)23)17(21)20-16(15)12-9-5-2-6-10-12/h1-10H,(H,20,21)(H,22,23)
InChIKeyHGJIUIMRNGEACB-UHFFFAOYSA-N
MW370.20 g/mol
LogP4.17
Rot. Bonds3

About 5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid

5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid (PubChem CID 134330987) has the molecular formula C18H12BrNO3 and a molecular weight of 370.20 g/mol. Its IUPAC name is 5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
PubChem CID134330987
Molecular FormulaC18H12BrNO3
Molecular Weight370.20 g/mol
Exact Mass369.00
IUPAC Name5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)c(Br)c(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H12BrNO3/c19-15-13(11-7-3-1-4-8-11)14(18(22)23)17(21)20-16(15)12-9-5-2-6-10-12/h1-10H,(H,20,21)(H,22,23)
InChIKeyHGJIUIMRNGEACB-UHFFFAOYSA-N
XLogP4.17
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(4-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404956
6,8-dihydroxy-1-oxo-3-phenyl-2H-isoquinoline-4-carboxylic acid
CID 67908190
2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
CID 134324247
2-amino-4-(3-bromo-4-carboxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407841
4,5,6-triphenylbenzene-1,2,3-tricarboxylic acid
CID 22165122
2-amino-4-[4-(2-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405394
5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid
CID 170985444
2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405860
[4-(2-amino-3,5-dicarboxy-6-oxo-1H-pyridin-4-yl)phenyl]-trifluoroboranuide
CID 169405264
4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one
CID 54683716
2-amino-4-[3-(2-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405873
2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169405410

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid (CID 134330987) is 5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid is O=C(O)c1c(-c2ccccc2)c(Br)c(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid?
The InChIKey is HGJIUIMRNGEACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNO3/c19-15-13(11-7-3-1-4-8-11)14(18(22)23)17(21)20-16(15)12-9-5-2-6-10-12/h1-10H,(H,20,21)(H,22,23).
What are the key properties of 5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid?
5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid has a molecular weight of 370.20 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 134330987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).