6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one

C14H9NO5 — CID 134911870

IUPAC6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one
SMILESO=c1oc2c(O)c(O)c(O)cc2cc1-c1cccnc1
InChIInChI=1S/C14H9NO5/c16-10-5-8-4-9(7-2-1-3-15-6-7)14(19)20-13(8)12(18)11(10)17/h1-6,16-18H
InChIKeyOLEXYVYJWQAVAD-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.97
Rot. Bonds1

About 6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one

6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one (PubChem CID 134911870) has the molecular formula C14H9NO5 and a molecular weight of 271.23 g/mol. Its IUPAC name is 6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one.

Molecular Properties

Compound Name6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one
PubChem CID134911870
Molecular FormulaC14H9NO5
Molecular Weight271.23 g/mol
Exact Mass271.05
IUPAC Name6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one
SMILESO=c1oc2c(O)c(O)c(O)cc2cc1-c1cccnc1
InChIInChI=1S/C14H9NO5/c16-10-5-8-4-9(7-2-1-3-15-6-7)14(19)20-13(8)12(18)11(10)17/h1-6,16-18H
InChIKeyOLEXYVYJWQAVAD-UHFFFAOYSA-N
XLogP1.97
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one
CID 154947609
7-(diethylamino)-3-pyridin-3-ylchromen-2-one
CID 89474400
8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide
CID 86650366
7-hydroxy-8-iodo-3-phenylchromen-2-one
CID 12695316
4-hydroxy-6-pyridin-3-ylpyran-2-one
CID 54684893
8-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 73355033
2-pyridin-3-yl-1,6-naphthyridin-3-ol
CID 23156672
4,5-dimethyl-2-pyridin-3-ylphenol
CID 11542953
3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-4-hydroxy-5-methyl-6-pyridin-3-ylpyran-2-one
CID 54703084
5-hydroxy-3-pyridin-3-ylxanthen-9-one
CID 57436677
3-fluoro-4-pyridin-3-ylphenol
CID 46315770
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one?
The IUPAC name of 6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one (CID 134911870) is 6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one.
What is the SMILES notation for 6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one?
The canonical SMILES for 6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one is O=c1oc2c(O)c(O)c(O)cc2cc1-c1cccnc1.
What is the InChIKey of 6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one?
The InChIKey is OLEXYVYJWQAVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO5/c16-10-5-8-4-9(7-2-1-3-15-6-7)14(19)20-13(8)12(18)11(10)17/h1-6,16-18H.
What are the key properties of 6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one?
6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one has a molecular weight of 271.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one is sourced from PubChem (CID 134911870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).