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

C13H10BrNO4 — CID 114201468

IUPAC1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(-c2cccc(Br)c2)c(C(=O)O)cc1=O
InChIInChI=1S/C13H10BrNO4/c1-19-12-7-15(9-4-2-3-8(14)5-9)10(13(17)18)6-11(12)16/h2-7H,1H3,(H,17,18)
InChIKeyNZPLFTMEWSJZBS-UHFFFAOYSA-N
MW324.13 g/mol
LogP2.31
Rot. Bonds3

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

1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid (PubChem CID 114201468) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
PubChem CID114201468
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(-c2cccc(Br)c2)c(C(=O)O)cc1=O
InChIInChI=1S/C13H10BrNO4/c1-19-12-7-15(9-4-2-3-8(14)5-9)10(13(17)18)6-11(12)16/h2-7H,1H3,(H,17,18)
InChIKeyNZPLFTMEWSJZBS-UHFFFAOYSA-N
XLogP2.31
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)pyrrole-2-carboxylic acid
CID 43477066
4-bromo-1-[3-(methoxymethyl)phenyl]pyrrole-2-carboxylic acid
CID 114604431
4-bromo-1-(3-ethoxyphenyl)pyrrole-2-carboxylic acid
CID 114604589
1-(4-bromo-3-methoxyphenyl)-4-chloropyrrole-2-carboxylic acid
CID 114606378
4-acetyl-1-(4-bromo-3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 114606380
1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201547
2-(3-bromophenyl)pyrazole-3-carboxylic acid
CID 83740815
1-(4-bromo-3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82860291
1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde
CID 86680277
1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
CID 89476025
4-iodo-1-(4-methoxy-3-methylphenyl)pyrrole-2-carboxylic acid
CID 114604478
4-bromo-1-(3,4-diethoxyphenyl)pyrrole-2-carboxylic acid
CID 114603565

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid (CID 114201468) is 1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid is COc1cn(-c2cccc(Br)c2)c(C(=O)O)cc1=O.
What is the InChIKey of 1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The InChIKey is NZPLFTMEWSJZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c1-19-12-7-15(9-4-2-3-8(14)5-9)10(13(17)18)6-11(12)16/h2-7H,1H3,(H,17,18).
What are the key properties of 1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid has a molecular weight of 324.13 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).