3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid

C15H13NO4 — CID 57317967

IUPAC3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid
SMILESCc1cc(O)ccc1-n1ccc(=O)cc1C=CC(=O)O
InChIInChI=1S/C15H13NO4/c1-10-8-12(17)3-4-14(10)16-7-6-13(18)9-11(16)2-5-15(19)20/h2-9,17H,1H3,(H,19,20)
InChIKeyGTQZHHPEOAEDAG-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.95
Rot. Bonds3

About 3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid

3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid (PubChem CID 57317967) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid
PubChem CID57317967
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid
SMILESCc1cc(O)ccc1-n1ccc(=O)cc1C=CC(=O)O
InChIInChI=1S/C15H13NO4/c1-10-8-12(17)3-4-14(10)16-7-6-13(18)9-11(16)2-5-15(19)20/h2-9,17H,1H3,(H,19,20)
InChIKeyGTQZHHPEOAEDAG-UHFFFAOYSA-N
XLogP1.95
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 14010769
2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid
CID 82362615
3-methyl-4-(2-methylimidazol-1-yl)phenol
CID 65313636
3-(2-fluoro-4-hydroxyphenyl)prop-2-enoic acid
CID 53401635
3-(3-methyl-4-morpholin-4-ylphenyl)prop-2-enoic acid
CID 76936167
3-(2,3-dimethylimidazol-4-yl)prop-2-enoic acid
CID 66913319
3-[4-(3,5-dioxopiperazin-1-yl)-3-methylphenyl]prop-2-enoic acid
CID 77111371
(E)-3-[4-(azepan-1-yl)-3-methylphenyl]prop-2-enoic acid
CID 55039965
3-[4-(azocan-1-yl)-3-methylphenyl]prop-2-enoic acid
CID 76936137
1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361615
(E)-3-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]prop-2-enoic acid
CID 82419247
(E)-3-(6-chloro-1,7-dimethylindol-2-yl)prop-2-enoic acid
CID 84741981

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid (CID 57317967) is 3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid is Cc1cc(O)ccc1-n1ccc(=O)cc1C=CC(=O)O.
What is the InChIKey of 3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid?
The InChIKey is GTQZHHPEOAEDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-10-8-12(17)3-4-14(10)16-7-6-13(18)9-11(16)2-5-15(19)20/h2-9,17H,1H3,(H,19,20).
What are the key properties of 3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid?
3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid has a molecular weight of 271.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 57317967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).