Isonicotinoyl radical

C6H4NO — CID 12594999

IUPAC—
SMILESO=[C]c1ccncc1
InChIInChI=1S/C6H4NO/c8-5-6-1-3-7-4-2-6/h1-4H
InChIKeyRYAGVHNWJVQVSI-UHFFFAOYSA-N
MW106.10 g/mol
LogP0.54
Rot. Bonds1

About Isonicotinoyl radical

Isonicotinoyl radical (PubChem CID 12594999) has the molecular formula C6H4NO and a molecular weight of 106.10 g/mol.

Molecular Properties

Compound NameIsonicotinoyl radical
PubChem CID12594999
Molecular FormulaC6H4NO
Molecular Weight106.10 g/mol
Exact Mass106.03
IUPAC Name—
SMILESO=[C]c1ccncc1
InChIInChI=1S/C6H4NO/c8-5-6-1-3-7-4-2-6/h1-4H
InChIKeyRYAGVHNWJVQVSI-UHFFFAOYSA-N
XLogP0.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.10
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Isonicotinoyl radical?
The IUPAC name of Isonicotinoyl radical (CID 12594999) is not available.
What is the SMILES notation for Isonicotinoyl radical?
The canonical SMILES for Isonicotinoyl radical is O=[C]c1ccncc1.
What is the InChIKey of Isonicotinoyl radical?
The InChIKey is RYAGVHNWJVQVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4NO/c8-5-6-1-3-7-4-2-6/h1-4H.
What are the key properties of Isonicotinoyl radical?
Isonicotinoyl radical has a molecular weight of 106.10 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Isonicotinoyl radical is sourced from PubChem (CID 12594999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).