1-(furan-3-yl)pyridin-4-one

C9H7NO2 — CID 19788565

IUPAC1-(furan-3-yl)pyridin-4-one
SMILESO=c1ccn(-c2ccoc2)cc1
InChIInChI=1S/C9H7NO2/c11-9-1-4-10(5-2-9)8-3-6-12-7-8/h1-7H
InChIKeyWABNHBICTYZZIX-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.43
Rot. Bonds1

About 1-(furan-3-yl)pyridin-4-one

1-(furan-3-yl)pyridin-4-one (PubChem CID 19788565) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-(furan-3-yl)pyridin-4-one.

Molecular Properties

Compound Name1-(furan-3-yl)pyridin-4-one
PubChem CID19788565
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name1-(furan-3-yl)pyridin-4-one
SMILESO=c1ccn(-c2ccoc2)cc1
InChIInChI=1S/C9H7NO2/c11-9-1-4-10(5-2-9)8-3-6-12-7-8/h1-7H
InChIKeyWABNHBICTYZZIX-UHFFFAOYSA-N
XLogP1.43
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Acetamidofuran
CID 521882
Ammonium, (3-furyl)trimethyl-, iodide
CID 199990
4-(Furan-3-yl)morpholine
CID 12009355
Furan-3-yl(trimethyl)azanium
CID 199991
5-Fluoro-1-(furan-3-yl)pyrimidine-2,4-dione
CID 69626237
N-(2-fluoroethyl)furan-3-amine
CID 140143628
N-(2,2-difluoroethyl)furan-3-amine
CID 151412690
1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole
CID 174593433
4,4-Difluoro-1-(furan-3-yl)piperidine
CID 175988490
ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate
CID 135076654
[4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate
CID 42625748
N,N-diethylfuran-3-amine
CID 12009356

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)pyridin-4-one?
The IUPAC name of 1-(furan-3-yl)pyridin-4-one (CID 19788565) is 1-(furan-3-yl)pyridin-4-one.
What is the SMILES notation for 1-(furan-3-yl)pyridin-4-one?
The canonical SMILES for 1-(furan-3-yl)pyridin-4-one is O=c1ccn(-c2ccoc2)cc1.
What is the InChIKey of 1-(furan-3-yl)pyridin-4-one?
The InChIKey is WABNHBICTYZZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-9-1-4-10(5-2-9)8-3-6-12-7-8/h1-7H.
What are the key properties of 1-(furan-3-yl)pyridin-4-one?
1-(furan-3-yl)pyridin-4-one has a molecular weight of 161.16 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)pyridin-4-one is sourced from PubChem (CID 19788565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).