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

C16H13NO2 — CID 3073317

IUPAC2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one
SMILESCc1ccc(-c2cc(=O)c3ncccc3o2)cc1C
InChIInChI=1S/C16H13NO2/c1-10-5-6-12(8-11(10)2)15-9-13(18)16-14(19-15)4-3-7-17-16/h3-9H,1-2H3
InChIKeyGKGUFTVGINZIAL-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.47
Rot. Bonds1

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

2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one (PubChem CID 3073317) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one
PubChem CID3073317
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one
SMILESCc1ccc(-c2cc(=O)c3ncccc3o2)cc1C
InChIInChI=1S/C16H13NO2/c1-10-5-6-12(8-11(10)2)15-9-13(18)16-14(19-15)4-3-7-17-16/h3-9H,1-2H3
InChIKeyGKGUFTVGINZIAL-UHFFFAOYSA-N
XLogP3.47
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one?
The IUPAC name of 2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one (CID 3073317) is 2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one.
What is the SMILES notation for 2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one?
The canonical SMILES for 2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one is Cc1ccc(-c2cc(=O)c3ncccc3o2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one?
The InChIKey is GKGUFTVGINZIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-5-6-12(8-11(10)2)15-9-13(18)16-14(19-15)4-3-7-17-16/h3-9H,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one?
2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one has a molecular weight of 251.28 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one is sourced from PubChem (CID 3073317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).