1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile

C11H8N2O — CID 84769341

IUPAC1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile
SMILESN#CC1(c2coc3ncccc23)CC1
InChIInChI=1S/C11H8N2O/c12-7-11(3-4-11)9-6-14-10-8(9)2-1-5-13-10/h1-2,5-6H,3-4H2
InChIKeyDLYQOFSTIYHZSW-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.38
Rot. Bonds1

About 1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile

1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile (PubChem CID 84769341) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile
PubChem CID84769341
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile
SMILESN#CC1(c2coc3ncccc23)CC1
InChIInChI=1S/C11H8N2O/c12-7-11(3-4-11)9-6-14-10-8(9)2-1-5-13-10/h1-2,5-6H,3-4H2
InChIKeyDLYQOFSTIYHZSW-UHFFFAOYSA-N
XLogP2.38
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile?
The IUPAC name of 1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile (CID 84769341) is 1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile is N#CC1(c2coc3ncccc23)CC1.
What is the InChIKey of 1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile?
The InChIKey is DLYQOFSTIYHZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c12-7-11(3-4-11)9-6-14-10-8(9)2-1-5-13-10/h1-2,5-6H,3-4H2.
What are the key properties of 1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile?
1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile is sourced from PubChem (CID 84769341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).