1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid

C15H14BrNO3 — CID 107577870

IUPAC1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(Br)cc(-n2c(C)c(C(=O)O)c(C)cc2=O)c1
InChIInChI=1S/C15H14BrNO3/c1-8-4-11(16)7-12(5-8)17-10(3)14(15(19)20)9(2)6-13(17)18/h4-7H,1-3H3,(H,19,20)
InChIKeyNLQBLUXXDGXWPD-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.22
Rot. Bonds2

About 1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid

1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid (PubChem CID 107577870) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
PubChem CID107577870
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(Br)cc(-n2c(C)c(C(=O)O)c(C)cc2=O)c1
InChIInChI=1S/C15H14BrNO3/c1-8-4-11(16)7-12(5-8)17-10(3)14(15(19)20)9(2)6-13(17)18/h4-7H,1-3H3,(H,19,20)
InChIKeyNLQBLUXXDGXWPD-UHFFFAOYSA-N
XLogP3.22
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid (CID 107577870) is 1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid is Cc1cc(Br)cc(-n2c(C)c(C(=O)O)c(C)cc2=O)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is NLQBLUXXDGXWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-8-4-11(16)7-12(5-8)17-10(3)14(15(19)20)9(2)6-13(17)18/h4-7H,1-3H3,(H,19,20).
What are the key properties of 1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid?
1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 336.19 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 107577870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).