2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one

C10H11NO2 — CID 135075601

IUPAC2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one
SMILESCC1=Cc2c(cc[nH]c2=O)OC1C
InChIInChI=1S/C10H11NO2/c1-6-5-8-9(13-7(6)2)3-4-11-10(8)12/h3-5,7H,1-2H3,(H,11,12)
InChIKeyMLDBQOHQDXYFJG-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.56
Rot. Bonds

About 2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one

2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one (PubChem CID 135075601) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one.

Molecular Properties

Compound Name2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one
PubChem CID135075601
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one
SMILESCC1=Cc2c(cc[nH]c2=O)OC1C
InChIInChI=1S/C10H11NO2/c1-6-5-8-9(13-7(6)2)3-4-11-10(8)12/h3-5,7H,1-2H3,(H,11,12)
InChIKeyMLDBQOHQDXYFJG-UHFFFAOYSA-N
XLogP1.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one?
The IUPAC name of 2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one (CID 135075601) is 2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one.
What is the SMILES notation for 2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one?
The canonical SMILES for 2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one is CC1=Cc2c(cc[nH]c2=O)OC1C.
What is the InChIKey of 2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one?
The InChIKey is MLDBQOHQDXYFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-5-8-9(13-7(6)2)3-4-11-10(8)12/h3-5,7H,1-2H3,(H,11,12).
What are the key properties of 2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one?
2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one has a molecular weight of 177.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one is sourced from PubChem (CID 135075601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).