3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one

C15H13ClN2O2 — CID 23049023

IUPAC3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2cccc(Cl)c2=O)c2cccnc2O1
InChIInChI=1S/C15H13ClN2O2/c1-15(2)9-12(10-5-3-7-17-13(10)20-15)18-8-4-6-11(16)14(18)19/h3-9H,1-2H3
InChIKeyMLTUWIHRQFWQTK-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.96
Rot. Bonds1

About 3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one

3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one (PubChem CID 23049023) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one
PubChem CID23049023
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2cccc(Cl)c2=O)c2cccnc2O1
InChIInChI=1S/C15H13ClN2O2/c1-15(2)9-12(10-5-3-7-17-13(10)20-15)18-8-4-6-11(16)14(18)19/h3-9H,1-2H3
InChIKeyMLTUWIHRQFWQTK-UHFFFAOYSA-N
XLogP2.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one?
The IUPAC name of 3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one (CID 23049023) is 3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one is CC1(C)C=C(n2cccc(Cl)c2=O)c2cccnc2O1.
What is the InChIKey of 3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one?
The InChIKey is MLTUWIHRQFWQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-15(2)9-12(10-5-3-7-17-13(10)20-15)18-8-4-6-11(16)14(18)19/h3-9H,1-2H3.
What are the key properties of 3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one?
3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one has a molecular weight of 288.73 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)pyridin-2-one is sourced from PubChem (CID 23049023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).