1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one

C15H16N2O3 — CID 23049027

IUPAC1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one
SMILESCC1(C)Oc2cccnc2C(n2ccccc2=O)C1O
InChIInChI=1S/C15H16N2O3/c1-15(2)14(19)13(17-9-4-3-7-11(17)18)12-10(20-15)6-5-8-16-12/h3-9,13-14,19H,1-2H3
InChIKeyBMWFYXXAQONRRY-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.36
Rot. Bonds1

About 1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one

1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one (PubChem CID 23049027) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one
PubChem CID23049027
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one
SMILESCC1(C)Oc2cccnc2C(n2ccccc2=O)C1O
InChIInChI=1S/C15H16N2O3/c1-15(2)14(19)13(17-9-4-3-7-11(17)18)12-10(20-15)6-5-8-16-12/h3-9,13-14,19H,1-2H3
InChIKeyBMWFYXXAQONRRY-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one?
The IUPAC name of 1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one (CID 23049027) is 1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one is CC1(C)Oc2cccnc2C(n2ccccc2=O)C1O.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one?
The InChIKey is BMWFYXXAQONRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-15(2)14(19)13(17-9-4-3-7-11(17)18)12-10(20-15)6-5-8-16-12/h3-9,13-14,19H,1-2H3.
What are the key properties of 1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one?
1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one has a molecular weight of 272.30 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-yl)pyridin-2-one is sourced from PubChem (CID 23049027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).