CID 101115529

C6H5N2O — CID 101115529

IUPAC—
SMILES[N]=Nc1ccc(O)cc1
InChIInChI=1S/C6H5N2O/c7-8-5-1-3-6(9)4-2-5/h1-4,9H
InChIKeySICFZPNOGUEVPB-UHFFFAOYSA-N
MW121.12 g/mol
LogP1.28
Rot. Bonds1

About CID 101115529

CID 101115529 (PubChem CID 101115529) has the molecular formula C6H5N2O and a molecular weight of 121.12 g/mol.

Molecular Properties

Compound NameCID 101115529
PubChem CID101115529
Molecular FormulaC6H5N2O
Molecular Weight121.12 g/mol
Exact Mass121.04
IUPAC Name—
SMILES[N]=Nc1ccc(O)cc1
InChIInChI=1S/C6H5N2O/c7-8-5-1-3-6(9)4-2-5/h1-4,9H
InChIKeySICFZPNOGUEVPB-UHFFFAOYSA-N
XLogP1.28
TPSA54.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.12
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101115529?
The IUPAC name of CID 101115529 (CID 101115529) is not available.
What is the SMILES notation for CID 101115529?
The canonical SMILES for CID 101115529 is [N]=Nc1ccc(O)cc1.
What is the InChIKey of CID 101115529?
The InChIKey is SICFZPNOGUEVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2O/c7-8-5-1-3-6(9)4-2-5/h1-4,9H.
What are the key properties of CID 101115529?
CID 101115529 has a molecular weight of 121.12 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101115529 is sourced from PubChem (CID 101115529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).