5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol

C12H11NO2 — CID 122241639

IUPAC5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol
SMILESOCCCC#Cc1nccc2occc12
InChIInChI=1S/C12H11NO2/c14-8-3-1-2-4-11-10-6-9-15-12(10)5-7-13-11/h5-7,9,14H,1,3,8H2
InChIKeyTXCQBBDQOWYEMR-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.95
Rot. Bonds2

About 5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol

5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol (PubChem CID 122241639) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol.

Molecular Properties

Compound Name5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol
PubChem CID122241639
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol
SMILESOCCCC#Cc1nccc2occc12
InChIInChI=1S/C12H11NO2/c14-8-3-1-2-4-11-10-6-9-15-12(10)5-7-13-11/h5-7,9,14H,1,3,8H2
InChIKeyTXCQBBDQOWYEMR-UHFFFAOYSA-N
XLogP1.95
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol?
The IUPAC name of 5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol (CID 122241639) is 5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol.
What is the SMILES notation for 5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol?
The canonical SMILES for 5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol is OCCCC#Cc1nccc2occc12.
What is the InChIKey of 5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol?
The InChIKey is TXCQBBDQOWYEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-8-3-1-2-4-11-10-6-9-15-12(10)5-7-13-11/h5-7,9,14H,1,3,8H2.
What are the key properties of 5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol?
5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol has a molecular weight of 201.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-furo[3,2-c]pyridin-4-ylpent-4-yn-1-ol is sourced from PubChem (CID 122241639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).