(4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene

C13H10ClN3O2 — CID 57108304

IUPAC(4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene
SMILESO=[N+]([O-])Cc1ccccc1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O2/c14-11-5-7-12(8-6-11)15-16-13-4-2-1-3-10(13)9-17(18)19/h1-8H,9H2/b16-15+
InChIKeyBCUQLBFHOXISHH-FOCLMDBBSA-N
MW275.70 g/mol
LogP4.53
Rot. Bonds4

About (4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene

(4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene (PubChem CID 57108304) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene
PubChem CID57108304
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name(4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene
SMILESO=[N+]([O-])Cc1ccccc1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O2/c14-11-5-7-12(8-6-11)15-16-13-4-2-1-3-10(13)9-17(18)19/h1-8H,9H2/b16-15+
InChIKeyBCUQLBFHOXISHH-FOCLMDBBSA-N
XLogP4.53
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene?
The IUPAC name of (4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene (CID 57108304) is (4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene.
What is the SMILES notation for (4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene?
The canonical SMILES for (4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene is O=[N+]([O-])Cc1ccccc1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene?
The InChIKey is BCUQLBFHOXISHH-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-11-5-7-12(8-6-11)15-16-13-4-2-1-3-10(13)9-17(18)19/h1-8H,9H2/b16-15+.
What are the key properties of (4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene?
(4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene has a molecular weight of 275.70 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(nitromethyl)phenyl]diazene is sourced from PubChem (CID 57108304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).