ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate

C14H13NO5 — CID 90667378

IUPACethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O
InChIInChI=1S/C14H13NO5/c1-2-20-14(19)11-12(17)10(7-15-13(11)18)8-3-5-9(16)6-4-8/h3-7,16H,2H2,1H3,(H2,15,17,18)
InChIKeyQDGKAAOBFZOPQQ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.63
Rot. Bonds3

About ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate

ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 90667378) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
PubChem CID90667378
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Nameethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O
InChIInChI=1S/C14H13NO5/c1-2-20-14(19)11-12(17)10(7-15-13(11)18)8-3-5-9(16)6-4-8/h3-7,16H,2H2,1H3,(H2,15,17,18)
InChIKeyQDGKAAOBFZOPQQ-UHFFFAOYSA-N
XLogP1.63
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Farinosone A
CID 54680181
Pyridovericin
CID 54697562
Militarinone D
CID 54691338
decyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 137639906
Pretenellin B
CID 54669827
4-hydroxy-5-(4-hydroxyphenyl)-3-[(2E,4E,6E)-6,8,10-trimethyldodeca-2,4,6-trienoyl]-1H-pyridin-2-one
CID 54715688
3-[(2E,4E,6E)-6,8-dimethyldeca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-4-methoxy-1H-pyridin-2-one
CID 137657173
3-[(2S,5R,6R)-6-[(E)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one
CID 54698639
4-hydroxy-3-[(2E,4E,6R)-6-(hydroxymethyl)-4-methylocta-2,4-dienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one
CID 54724311
Torrubiellone C
CID 54729462
13-hydroxypretenellin B
CID 60148210
N-Demethylsambutoxin
CID 139583791

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate (CID 90667378) is ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O.
What is the InChIKey of ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is QDGKAAOBFZOPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-2-20-14(19)11-12(17)10(7-15-13(11)18)8-3-5-9(16)6-4-8/h3-7,16H,2H2,1H3,(H2,15,17,18).
What are the key properties of ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate?
ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 275.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 90667378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).