N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine

C11H9Cl2N5O2 — CID 80916589

IUPACN-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESNNc1ccc([N+](=O)[O-])c(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H9Cl2N5O2/c12-6-2-1-3-7(10(6)13)15-11-8(18(19)20)4-5-9(16-11)17-14/h1-5H,14H2,(H2,15,16,17)
InChIKeyUIIXURLJQNLXFB-UHFFFAOYSA-N
MW314.13 g/mol
LogP3.33
Rot. Bonds4

About N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine

N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 80916589) has the molecular formula C11H9Cl2N5O2 and a molecular weight of 314.13 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID80916589
Molecular FormulaC11H9Cl2N5O2
Molecular Weight314.13 g/mol
Exact Mass313.01
IUPAC NameN-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESNNc1ccc([N+](=O)[O-])c(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H9Cl2N5O2/c12-6-2-1-3-7(10(6)13)15-11-8(18(19)20)4-5-9(16-11)17-14/h1-5H,14H2,(H2,15,16,17)
InChIKeyUIIXURLJQNLXFB-UHFFFAOYSA-N
XLogP3.33
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid
CID 114403546
N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80911491
4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80908944
N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80912402
N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80917166
N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80919615
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107639593
N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107623697
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80928418
6-N-methyl-3-nitro-2-N-(2,4,5-trichlorophenyl)pyridine-2,6-diamine
CID 80748177
N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107465281
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine (CID 80916589) is N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine is NNc1ccc([N+](=O)[O-])c(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is UIIXURLJQNLXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N5O2/c12-6-2-1-3-7(10(6)13)15-11-8(18(19)20)4-5-9(16-11)17-14/h1-5H,14H2,(H2,15,16,17).
What are the key properties of N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 314.13 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 80916589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).