2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine

C9H10FN3 — CID 123358628

IUPAC2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine
SMILES[H]/N=C/C/N=N/c1cc(C)cc(F)c1
InChIInChI=1S/C9H10FN3/c1-7-4-8(10)6-9(5-7)13-12-3-2-11/h2,4-6,11H,3H2,1H3/b11-2+,13-12+
InChIKeyPMTUGNARVUCFSN-HUYCJKDXSA-N
MW179.20 g/mol
LogP2.87
Rot. Bonds3

About 2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine

2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine (PubChem CID 123358628) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine.

Molecular Properties

Compound Name2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine
PubChem CID123358628
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine
SMILES[H]/N=C/C/N=N/c1cc(C)cc(F)c1
InChIInChI=1S/C9H10FN3/c1-7-4-8(10)6-9(5-7)13-12-3-2-11/h2,4-6,11H,3H2,1H3/b11-2+,13-12+
InChIKeyPMTUGNARVUCFSN-HUYCJKDXSA-N
XLogP2.87
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine?
The IUPAC name of 2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine (CID 123358628) is 2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine.
What is the SMILES notation for 2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine?
The canonical SMILES for 2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine is [H]/N=C/C/N=N/c1cc(C)cc(F)c1.
What is the InChIKey of 2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine?
The InChIKey is PMTUGNARVUCFSN-HUYCJKDXSA-N. The full InChI is InChI=1S/C9H10FN3/c1-7-4-8(10)6-9(5-7)13-12-3-2-11/h2,4-6,11H,3H2,1H3/b11-2+,13-12+.
What are the key properties of 2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine?
2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine has a molecular weight of 179.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine is sourced from PubChem (CID 123358628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).