6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid

C14H11NO5 — CID 14010769

IUPAC6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(O)ccc1-n1cc(C(=O)O)c(=O)cc1C=O
InChIInChI=1S/C14H11NO5/c1-8-4-10(17)2-3-12(8)15-6-11(14(19)20)13(18)5-9(15)7-16/h2-7,17H,1H3,(H,19,20)
InChIKeyOVIXZPRDVJWJAZ-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.36
Rot. Bonds3

About 6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid

6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid (PubChem CID 14010769) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid
PubChem CID14010769
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(O)ccc1-n1cc(C(=O)O)c(=O)cc1C=O
InChIInChI=1S/C14H11NO5/c1-8-4-10(17)2-3-12(8)15-6-11(14(19)20)13(18)5-9(15)7-16/h2-7,17H,1H3,(H,19,20)
InChIKeyOVIXZPRDVJWJAZ-UHFFFAOYSA-N
XLogP1.36
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14027756
6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 82419564
2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid
CID 82362615
3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid
CID 57317967
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82420382
methyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-4-ylpyridine-3-carboxylate
CID 14010737
1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361615
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82421494
2,3-bis(4-hydroxy-2-methylphenyl)terephthalic acid
CID 67898898
1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid
CID 82361555
6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 1489807

Frequently Asked Questions

What is the IUPAC name of 6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid (CID 14010769) is 6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid is Cc1cc(O)ccc1-n1cc(C(=O)O)c(=O)cc1C=O.
What is the InChIKey of 6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid?
The InChIKey is OVIXZPRDVJWJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-8-4-10(17)2-3-12(8)15-6-11(14(19)20)13(18)5-9(15)7-16/h2-7,17H,1H3,(H,19,20).
What are the key properties of 6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid?
6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid has a molecular weight of 273.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 14010769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).