7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one

C8H6ClNO2 — CID 130116529

IUPAC7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one
SMILESO=C1CCOc2cc(Cl)ncc21
InChIInChI=1S/C8H6ClNO2/c9-8-3-7-5(4-10-8)6(11)1-2-12-7/h3-4H,1-2H2
InChIKeyORUOJRYXLLBRGB-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.70
Rot. Bonds

About 7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one

7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one (PubChem CID 130116529) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one
PubChem CID130116529
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one
SMILESO=C1CCOc2cc(Cl)ncc21
InChIInChI=1S/C8H6ClNO2/c9-8-3-7-5(4-10-8)6(11)1-2-12-7/h3-4H,1-2H2
InChIKeyORUOJRYXLLBRGB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one?
The IUPAC name of 7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one (CID 130116529) is 7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one?
The canonical SMILES for 7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one is O=C1CCOc2cc(Cl)ncc21.
What is the InChIKey of 7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one?
The InChIKey is ORUOJRYXLLBRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c9-8-3-7-5(4-10-8)6(11)1-2-12-7/h3-4H,1-2H2.
What are the key properties of 7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one?
7-chloro-2,3-dihydropyrano[3,2-c]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 7-chloro-2,3-dihydropyrano[3,2-c]pyridin-4-one is sourced from PubChem (CID 130116529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).