N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline

C12H10Cl2N4O2 — CID 80917166

IUPACN-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline
SMILESNNc1cccc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H10Cl2N4O2/c13-7-3-1-4-8(11(7)14)16-9-5-2-6-10(17-15)12(9)18(19)20/h1-6,16-17H,15H2
InChIKeyVDIRYWLHOJKJRT-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.93
Rot. Bonds4

About N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline

N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline (PubChem CID 80917166) has the molecular formula C12H10Cl2N4O2 and a molecular weight of 313.14 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline
PubChem CID80917166
Molecular FormulaC12H10Cl2N4O2
Molecular Weight313.14 g/mol
Exact Mass312.02
IUPAC NameN-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline
SMILESNNc1cccc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H10Cl2N4O2/c13-7-3-1-4-8(11(7)14)16-9-5-2-6-10(17-15)12(9)18(19)20/h1-6,16-17H,15H2
InChIKeyVDIRYWLHOJKJRT-UHFFFAOYSA-N
XLogP3.93
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline
CID 107795411
N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80927963
3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107647332
N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline
CID 107604853
[3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine
CID 80921971
3-chloro-N-(4-chlorophenyl)-2-nitroaniline
CID 104838744
N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916589
N-(2-bromophenyl)-3-chloro-2-nitroaniline
CID 104838746
6-N-(4-chlorophenyl)-4-N-(2,3-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530912
3-N-(3-chloro-2-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 80762804
N-(5-bromo-2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80906963
2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile
CID 80903969

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline?
The IUPAC name of N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline (CID 80917166) is N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline?
The canonical SMILES for N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline is NNc1cccc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-].
What is the InChIKey of N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline?
The InChIKey is VDIRYWLHOJKJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2/c13-7-3-1-4-8(11(7)14)16-9-5-2-6-10(17-15)12(9)18(19)20/h1-6,16-17H,15H2.
What are the key properties of N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline?
N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline has a molecular weight of 313.14 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline is sourced from PubChem (CID 80917166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).