2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile

C10H8N2O2 — CID 19703022

IUPAC2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile
SMILESCOc1ccc2occ(CC#N)c2n1
InChIInChI=1S/C10H8N2O2/c1-13-9-3-2-8-10(12-9)7(4-5-11)6-14-8/h2-3,6H,4H2,1H3
InChIKeyNYXDKFJNUOINHH-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.90
Rot. Bonds2

About 2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile

2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile (PubChem CID 19703022) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile
PubChem CID19703022
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile
SMILESCOc1ccc2occ(CC#N)c2n1
InChIInChI=1S/C10H8N2O2/c1-13-9-3-2-8-10(12-9)7(4-5-11)6-14-8/h2-3,6H,4H2,1H3
InChIKeyNYXDKFJNUOINHH-UHFFFAOYSA-N
XLogP1.90
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile?
The IUPAC name of 2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile (CID 19703022) is 2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile is COc1ccc2occ(CC#N)c2n1.
What is the InChIKey of 2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile?
The InChIKey is NYXDKFJNUOINHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-13-9-3-2-8-10(12-9)7(4-5-11)6-14-8/h2-3,6H,4H2,1H3.
What are the key properties of 2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile?
2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile has a molecular weight of 188.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxyfuro[3,2-b]pyridin-3-yl)acetonitrile is sourced from PubChem (CID 19703022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).