2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one

C15H11NO3 — CID 11701576

IUPAC2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one
SMILESCc1cc(-c2cc(=O)c3cccnc3o2)ccc1O
InChIInChI=1S/C15H11NO3/c1-9-7-10(4-5-12(9)17)14-8-13(18)11-3-2-6-16-15(11)19-14/h2-8,17H,1H3
InChIKeyRWIZVWQVJYMQJD-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.87
Rot. Bonds1

About 2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one

2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one (PubChem CID 11701576) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one
PubChem CID11701576
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one
SMILESCc1cc(-c2cc(=O)c3cccnc3o2)ccc1O
InChIInChI=1S/C15H11NO3/c1-9-7-10(4-5-12(9)17)14-8-13(18)11-3-2-6-16-15(11)19-14/h2-8,17H,1H3
InChIKeyRWIZVWQVJYMQJD-UHFFFAOYSA-N
XLogP2.87
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one?
The IUPAC name of 2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one (CID 11701576) is 2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one is Cc1cc(-c2cc(=O)c3cccnc3o2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one?
The InChIKey is RWIZVWQVJYMQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-9-7-10(4-5-12(9)17)14-8-13(18)11-3-2-6-16-15(11)19-14/h2-8,17H,1H3.
What are the key properties of 2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one?
2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one has a molecular weight of 253.26 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methylphenyl)pyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 11701576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).