6-methylfuro[3,2-b]pyridine-5-carbonitrile

C9H6N2O — CID 67246676

IUPAC6-methylfuro[3,2-b]pyridine-5-carbonitrile
SMILESCc1cc2occc2nc1C#N
InChIInChI=1S/C9H6N2O/c1-6-4-9-7(2-3-12-9)11-8(6)5-10/h2-4H,1H3
InChIKeyAEAMIHCEHMEESR-UHFFFAOYSA-N
MW158.16 g/mol
LogP2.01
Rot. Bonds

About 6-methylfuro[3,2-b]pyridine-5-carbonitrile

6-methylfuro[3,2-b]pyridine-5-carbonitrile (PubChem CID 67246676) has the molecular formula C9H6N2O and a molecular weight of 158.16 g/mol. Its IUPAC name is 6-methylfuro[3,2-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-methylfuro[3,2-b]pyridine-5-carbonitrile
PubChem CID67246676
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
Exact Mass158.05
IUPAC Name6-methylfuro[3,2-b]pyridine-5-carbonitrile
SMILESCc1cc2occc2nc1C#N
InChIInChI=1S/C9H6N2O/c1-6-4-9-7(2-3-12-9)11-8(6)5-10/h2-4H,1H3
InChIKeyAEAMIHCEHMEESR-UHFFFAOYSA-N
XLogP2.01
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylfuro[3,2-b]pyridine-5-carbonitrile?
The IUPAC name of 6-methylfuro[3,2-b]pyridine-5-carbonitrile (CID 67246676) is 6-methylfuro[3,2-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-methylfuro[3,2-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-methylfuro[3,2-b]pyridine-5-carbonitrile is Cc1cc2occc2nc1C#N.
What is the InChIKey of 6-methylfuro[3,2-b]pyridine-5-carbonitrile?
The InChIKey is AEAMIHCEHMEESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O/c1-6-4-9-7(2-3-12-9)11-8(6)5-10/h2-4H,1H3.
What are the key properties of 6-methylfuro[3,2-b]pyridine-5-carbonitrile?
6-methylfuro[3,2-b]pyridine-5-carbonitrile has a molecular weight of 158.16 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylfuro[3,2-b]pyridine-5-carbonitrile is sourced from PubChem (CID 67246676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).