1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid

C13H10BrNO3 — CID 82124840

IUPAC1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1-c1cccc(Br)c1
InChIInChI=1S/C13H10BrNO3/c1-8-5-6-11(13(17)18)12(16)15(8)10-4-2-3-9(14)7-10/h2-7H,1H3,(H,17,18)
InChIKeyZAFMEQBBHHKTDR-UHFFFAOYSA-N
MW308.13 g/mol
LogP2.61
Rot. Bonds2

About 1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid

1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 82124840) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID82124840
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1-c1cccc(Br)c1
InChIInChI=1S/C13H10BrNO3/c1-8-5-6-11(13(17)18)12(16)15(8)10-4-2-3-9(14)7-10/h2-7H,1H3,(H,17,18)
InChIKeyZAFMEQBBHHKTDR-UHFFFAOYSA-N
XLogP2.61
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82124199
3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82308012
1-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-chloroethanone
CID 2125349
5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 143779393
1-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]propan-2-one
CID 82135247
[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119403147
2-(3-bromophenyl)-6-(2,2-dimethylpropanoyl)-3-oxopyridazine-4-carboxylic acid
CID 100785935
3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 172568153
1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 62876195
1-(3-bromophenyl)-4-oxopyrimidine-5-carboxylic acid
CID 115114488
2-[3-(3-bromophenyl)-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid
CID 28690380
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (CID 82124840) is 1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is ZAFMEQBBHHKTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c1-8-5-6-11(13(17)18)12(16)15(8)10-4-2-3-9(14)7-10/h2-7H,1H3,(H,17,18).
What are the key properties of 1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 308.13 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82124840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).