2-Pyridinyl-1,3-dioxolane

HCID 79773CAS 5693-54-9

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Basic information

Standard SMILES: c1ccc(C2OCCO2)nc1
InChIKey: FPSCKCFSKOKOHC-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Names & identifiers

Preferred name: 2-Pyridinyl-1,3-dioxolane
IUPAC: 2-(1,3-dioxolan-2-yl)pyridine
English name: Pyridine-2-carbaldehyde ethylene acetal
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

2-(1,3-Dioxolan-2-yl)pyridine5693-54-9Pyridine, 2-(1,3-dioxolan-2-yl)-Picolinaldehyde, cyclic ethylene acetalYB42JFC1XN2-Pyridinyl-1,3-dioxolane2-(2-Pyridyl)-1,3-dioxolane2-Pyridinecarboxaldehyde, cyclic 1,2-ethanediyl acetalNSC 111055NSC-111055DTXSID1063980RefChem:483418

Show more names

indeno[1,2-c][2]benzopyran-5,11-dione2-Pyridinecarbaldehyde ethylene acetal

DTXCID2042141Pyridine-2-carbaldehyde ethylene acetal2-(1,3-Dioxalan-2-yl)pyridineMFCD00234423UNII-YB42JFC1XN1.3-dioxolan-2-yl-pyridine(2-pyridyl)-1,3-dioxolanePyridine,3-dioxolan-2-yl)-

Database identifiers

CAS: 5693-54-9
PubChem CID: 79773
DTXSID: DTXSID1063980
UNII: YB42JFC1XN
Nikkaji: J421.779I

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 31.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 123

Physicochemical properties

Boiling point: 146 · 146-148 °C(Press: 5 Torr)
Density: 1.178 · 1.178±0.06 g/cm3(Predicted)
pka: 4.66 · 4.66±0.19(Predicted)
FDA UNII: 42 JFC1XN · YB42JFC1XN
EPA Substance Registry System: 2 · Pyridine, 2-(1,3-dioxolan-2-yl)- (5693-54-9)
TSCA: TSCA listed