6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one

C9H8ClNO2 — CID 14371710

IUPAC6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESCC1CC(=O)c2cc(Cl)cnc2O1
InChIInChI=1S/C9H8ClNO2/c1-5-2-8(12)7-3-6(10)4-11-9(7)13-5/h3-5H,2H2,1H3
InChIKeyAIKIQDOZEGMIKK-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.09
Rot. Bonds

About 6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one

6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one (PubChem CID 14371710) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one
PubChem CID14371710
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESCC1CC(=O)c2cc(Cl)cnc2O1
InChIInChI=1S/C9H8ClNO2/c1-5-2-8(12)7-3-6(10)4-11-9(7)13-5/h3-5H,2H2,1H3
InChIKeyAIKIQDOZEGMIKK-UHFFFAOYSA-N
XLogP2.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The IUPAC name of 6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one (CID 14371710) is 6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one is CC1CC(=O)c2cc(Cl)cnc2O1.
What is the InChIKey of 6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The InChIKey is AIKIQDOZEGMIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-5-2-8(12)7-3-6(10)4-11-9(7)13-5/h3-5H,2H2,1H3.
What are the key properties of 6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one?
6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one has a molecular weight of 197.62 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 14371710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).