CAS 405174-48-3 2,3-Dihydro-4H-pyrano[3,2-b]pyridin-4-one (HCID 45079620)

Substructure search Find similar structures

Basic information

CAS: 405174-48-3
Standard SMILES: O=C1CCOc2cccnc21
InChIKey: GKRJJPIVURFTGT-UHFFFAOYSA-N
Molecular formula: C8H7NO2
Average molar mass: 149.15 g/mol
Monoisotopic mass: 149.04767846

Names & identifiers

Preferred name: 2,3-Dihydro-4H-pyrano[3,2-b]pyridin-4-one
IUPAC: 2,3-dihydropyrano[3,2-b]pyridin-4-one
English name: 4H-Pyrano[3,2-b]pyridin-4-one,2,3-dihydro-(9CI)
Molecular formula: C8H7NO2
Molecular weight: 149.15

Names & synonyms

405174-48-32,3-dihydro-4H-pyrano[3,2-b]pyridin-4-oneDTXSID606637512,3-Dihydro-4H-pyrano(3,2-b)pyridin-4-oneRefChem:244831DTXCID006145002H-Pyrano[3,2-b]pyridin-4(3H)-one2,3-dihydropyrano[3,2-b]pyridin-4-oneMFCD110358814H-Pyrano[3,2-b]pyridin-4-one,2,3-dihydro-(9CI)2H,3H,4H-pyrano[3,2-b]pyridin-4-one2,3-Dihydro-pyrano[3,2-b]pyridin-4-one

Show more names

4H-Pyrano[3,2-b]pyridin-4-one2-b]pyridin-4-one3-Dihydro-4H-pyrano[32H-Pyrano[3,2-b]pyridin-4(3H)2，3-dihydro-4H-pyranbenzo[3，2-B]pyridine-4-one

SY1135034H-Pyrano[3,2-b]pyridin-4-one, 2,3-dihydro-4H-PyraFT-0649539A825151SCHEMBL716293SCHEMBL4065661SCHEMBL29412463

Database identifiers

CAS: 405174-48-3
PubChem CID: 45079620
DTXSID: DTXSID60663751

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 169

Physicochemical properties

Boiling point: 305.7 · 305.7±31.0 °C(Predicted)
Density: 1.274 · 1.274±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 2.49 · 2.49±0.20(Predicted)
Appearance: Light brown to brown Solid
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H228
Precautionary statements: 240 · P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2934999090 · 2934999090

Safety & regulation

Safety data

hs_code: 2934999090
Signal word: Danger
Symbol(GHS): GHS02,GHS07
Hazard statements: H315-H319-H228
Precautionary statements: P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313