1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol

C13H13NO2 — CID 122384236

IUPAC1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol
SMILESC=CCC(O)c1cccnc1-c1ccco1
InChIInChI=1S/C13H13NO2/c1-2-5-11(15)10-6-3-8-14-13(10)12-7-4-9-16-12/h2-4,6-9,11,15H,1,5H2
InChIKeyOWUJAQITXCNKSA-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.95
Rot. Bonds4

About 1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol

1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol (PubChem CID 122384236) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol
PubChem CID122384236
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol
SMILESC=CCC(O)c1cccnc1-c1ccco1
InChIInChI=1S/C13H13NO2/c1-2-5-11(15)10-6-3-8-14-13(10)12-7-4-9-16-12/h2-4,6-9,11,15H,1,5H2
InChIKeyOWUJAQITXCNKSA-UHFFFAOYSA-N
XLogP2.95
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(furan-2-yl)-3-pyridinyl]methanol
CID 91990185
1-(2-pyridin-2-ylphenyl)but-3-en-1-ol
CID 102575280
1-quinoxalin-5-ylbut-3-en-1-ol
CID 105081692
1-(2-methyl-3-pyridinyl)but-3-enylhydrazine
CID 105289607
2-(1-hydroxybut-3-enyl)-6-methylphenol
CID 101451265
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910
3-(furan-2-yl)-2-pyridin-2-ylpyridine
CID 121395467
(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203354
2,3-di(propan-2-yl)pyridine;ethanol
CID 159072457
(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine
CID 55273004
5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine
CID 121013495
5-(furan-2-yl)quinoline
CID 135387674

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol?
The IUPAC name of 1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol (CID 122384236) is 1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol.
What is the SMILES notation for 1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol?
The canonical SMILES for 1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol is C=CCC(O)c1cccnc1-c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol?
The InChIKey is OWUJAQITXCNKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-5-11(15)10-6-3-8-14-13(10)12-7-4-9-16-12/h2-4,6-9,11,15H,1,5H2.
What are the key properties of 1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol?
1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol has a molecular weight of 215.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-3-pyridinyl]but-3-en-1-ol is sourced from PubChem (CID 122384236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).