5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid

C15H14BrNO3 — CID 22159856

IUPAC5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid
SMILESCCn1cc(-c2ccc(Br)cc2)c(=O)c(C(=O)O)c1C
InChIInChI=1S/C15H14BrNO3/c1-3-17-8-12(10-4-6-11(16)7-5-10)14(18)13(9(17)2)15(19)20/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyQNMQNGCLHCMUQG-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.30
Rot. Bonds3

About 5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid

5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid (PubChem CID 22159856) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid
PubChem CID22159856
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid
SMILESCCn1cc(-c2ccc(Br)cc2)c(=O)c(C(=O)O)c1C
InChIInChI=1S/C15H14BrNO3/c1-3-17-8-12(10-4-6-11(16)7-5-10)14(18)13(9(17)2)15(19)20/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyQNMQNGCLHCMUQG-UHFFFAOYSA-N
XLogP3.30
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid (CID 22159856) is 5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid is CCn1cc(-c2ccc(Br)cc2)c(=O)c(C(=O)O)c1C.
What is the InChIKey of 5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is QNMQNGCLHCMUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-3-17-8-12(10-4-6-11(16)7-5-10)14(18)13(9(17)2)15(19)20/h4-8H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid?
5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 336.19 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-ethyl-2-methyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 22159856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).