8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one

C14H10NO4+ — CID 143220049

IUPAC8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2c1ccc[n+]2O
InChIInChI=1S/C14H9NO4/c16-10-5-3-9(4-6-10)13-8-12(17)11-2-1-7-15(18)14(11)19-13/h1-8H,(H-,16,17,18)/p+1
InChIKeyKFXQLEDGOUCMFF-UHFFFAOYSA-O
MW256.24 g/mol
LogP1.69
Rot. Bonds1

About 8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one

8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one (PubChem CID 143220049) has the molecular formula C14H10NO4+ and a molecular weight of 256.24 g/mol. Its IUPAC name is 8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one.

Molecular Properties

Compound Name8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one
PubChem CID143220049
Molecular FormulaC14H10NO4+
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2c1ccc[n+]2O
InChIInChI=1S/C14H9NO4/c16-10-5-3-9(4-6-10)13-8-12(17)11-2-1-7-15(18)14(11)19-13/h1-8H,(H-,16,17,18)/p+1
InChIKeyKFXQLEDGOUCMFF-UHFFFAOYSA-O
XLogP1.69
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hydroxyphenyl)-8-methylchromen-4-one
CID 24721527
6,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 59800838
2-(4-hydroxyphenyl)-8-methoxychromen-4-one
CID 11687621
7-hydroxy-2-phenylchromen-4-one
CID 5281894
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
2-phenylchromen-4-one
CID 90124083
8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one
CID 155894878
8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 70069758
2-(4-bromophenyl)-8-chlorochromen-4-one
CID 164809854
2-(4-hydroxyphenyl)-9-methylfuro[2,3-h]chromen-4-one
CID 141466718
copper;2-phenylchromen-4-one
CID 175169427
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one?
The IUPAC name of 8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one (CID 143220049) is 8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one.
What is the SMILES notation for 8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one?
The canonical SMILES for 8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one is O=c1cc(-c2ccc(O)cc2)oc2c1ccc[n+]2O.
What is the InChIKey of 8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one?
The InChIKey is KFXQLEDGOUCMFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H9NO4/c16-10-5-3-9(4-6-10)13-8-12(17)11-2-1-7-15(18)14(11)19-13/h1-8H,(H-,16,17,18)/p+1.
What are the key properties of 8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one?
8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one has a molecular weight of 256.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one is sourced from PubChem (CID 143220049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).