2-furo[3,2-c]pyridin-2-ylacetonitrile

C9H6N2O — CID 14948605

IUPAC2-furo[3,2-c]pyridin-2-ylacetonitrile
SMILESN#CCc1cc2cnccc2o1
InChIInChI=1S/C9H6N2O/c10-3-1-8-5-7-6-11-4-2-9(7)12-8/h2,4-6H,1H2
InChIKeyCBLLZJFCQXXOHU-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.89
Rot. Bonds1

About 2-furo[3,2-c]pyridin-2-ylacetonitrile

2-furo[3,2-c]pyridin-2-ylacetonitrile (PubChem CID 14948605) has the molecular formula C9H6N2O and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-furo[3,2-c]pyridin-2-ylacetonitrile.

Molecular Properties

Compound Name2-furo[3,2-c]pyridin-2-ylacetonitrile
PubChem CID14948605
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
Exact Mass158.05
IUPAC Name2-furo[3,2-c]pyridin-2-ylacetonitrile
SMILESN#CCc1cc2cnccc2o1
InChIInChI=1S/C9H6N2O/c10-3-1-8-5-7-6-11-4-2-9(7)12-8/h2,4-6H,1H2
InChIKeyCBLLZJFCQXXOHU-UHFFFAOYSA-N
XLogP1.89
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-furo[3,2-c]pyridin-2-ylacetonitrile?
The IUPAC name of 2-furo[3,2-c]pyridin-2-ylacetonitrile (CID 14948605) is 2-furo[3,2-c]pyridin-2-ylacetonitrile.
What is the SMILES notation for 2-furo[3,2-c]pyridin-2-ylacetonitrile?
The canonical SMILES for 2-furo[3,2-c]pyridin-2-ylacetonitrile is N#CCc1cc2cnccc2o1.
What is the InChIKey of 2-furo[3,2-c]pyridin-2-ylacetonitrile?
The InChIKey is CBLLZJFCQXXOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O/c10-3-1-8-5-7-6-11-4-2-9(7)12-8/h2,4-6H,1H2.
What are the key properties of 2-furo[3,2-c]pyridin-2-ylacetonitrile?
2-furo[3,2-c]pyridin-2-ylacetonitrile has a molecular weight of 158.16 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-furo[3,2-c]pyridin-2-ylacetonitrile is sourced from PubChem (CID 14948605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).