2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one

C21H17NO6 — CID 162664122

IUPAC2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(O)c3)oc12
InChIInChI=1S/C21H17NO6/c1-25-15-4-5-16(26-2)20-19(15)18(27-3)7-13-14(24)8-17(28-21(13)20)11-6-12(23)10-22-9-11/h4-10,23H,1-3H3
InChIKeyJFOHJNGPAABXQF-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.74
Rot. Bonds4

About 2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one

2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one (PubChem CID 162664122) has the molecular formula C21H17NO6 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
PubChem CID162664122
Molecular FormulaC21H17NO6
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(O)c3)oc12
InChIInChI=1S/C21H17NO6/c1-25-15-4-5-16(26-2)20-19(15)18(27-3)7-13-14(24)8-17(28-21(13)20)11-6-12(23)10-22-9-11/h4-10,23H,1-3H3
InChIKeyJFOHJNGPAABXQF-UHFFFAOYSA-N
XLogP3.74
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The IUPAC name of 2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one (CID 162664122) is 2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one.
What is the SMILES notation for 2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The canonical SMILES for 2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one is COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(O)c3)oc12.
What is the InChIKey of 2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The InChIKey is JFOHJNGPAABXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO6/c1-25-15-4-5-16(26-2)20-19(15)18(27-3)7-13-14(24)8-17(28-21(13)20)11-6-12(23)10-22-9-11/h4-10,23H,1-3H3.
What are the key properties of 2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one has a molecular weight of 379.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one is sourced from PubChem (CID 162664122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).