2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one

C19H13NO4 — CID 145204777

IUPAC2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one
SMILESCOc1cc(-c2coc3ccc4ccccc4c3c2=O)ncc1O
InChIInChI=1S/C19H13NO4/c1-23-17-8-14(20-9-15(17)21)13-10-24-16-7-6-11-4-2-3-5-12(11)18(16)19(13)22/h2-10,21H,1H3
InChIKeySAPFDNZJLDZSRD-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.72
Rot. Bonds2

About 2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one

2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one (PubChem CID 145204777) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one.

Molecular Properties

Compound Name2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one
PubChem CID145204777
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one
SMILESCOc1cc(-c2coc3ccc4ccccc4c3c2=O)ncc1O
InChIInChI=1S/C19H13NO4/c1-23-17-8-14(20-9-15(17)21)13-10-24-16-7-6-11-4-2-3-5-12(11)18(16)19(13)22/h2-10,21H,1H3
InChIKeySAPFDNZJLDZSRD-UHFFFAOYSA-N
XLogP3.72
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one?
The IUPAC name of 2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one (CID 145204777) is 2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one.
What is the SMILES notation for 2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one?
The canonical SMILES for 2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one is COc1cc(-c2coc3ccc4ccccc4c3c2=O)ncc1O.
What is the InChIKey of 2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one?
The InChIKey is SAPFDNZJLDZSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c1-23-17-8-14(20-9-15(17)21)13-10-24-16-7-6-11-4-2-3-5-12(11)18(16)19(13)22/h2-10,21H,1H3.
What are the key properties of 2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one?
2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one has a molecular weight of 319.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-4-methoxy-2-pyridinyl)benzo[f]chromen-1-one is sourced from PubChem (CID 145204777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).