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

C8H6ClNO2 — CID 14371734

IUPAC6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESO=C1CCOc2ncc(Cl)cc21
InChIInChI=1S/C8H6ClNO2/c9-5-3-6-7(11)1-2-12-8(6)10-4-5/h3-4H,1-2H2
InChIKeyQAWIBDZRUBWAJN-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.70
Rot. Bonds

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

6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one (PubChem CID 14371734) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one
PubChem CID14371734
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESO=C1CCOc2ncc(Cl)cc21
InChIInChI=1S/C8H6ClNO2/c9-5-3-6-7(11)1-2-12-8(6)10-4-5/h3-4H,1-2H2
InChIKeyQAWIBDZRUBWAJN-UHFFFAOYSA-N
XLogP1.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The IUPAC name of 6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one (CID 14371734) is 6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one is O=C1CCOc2ncc(Cl)cc21.
What is the InChIKey of 6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The InChIKey is QAWIBDZRUBWAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c9-5-3-6-7(11)1-2-12-8(6)10-4-5/h3-4H,1-2H2.
What are the key properties of 6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one?
6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one has a molecular weight of 183.59 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 14371734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).