2-nitroaniline;dihydrochloride

C6H8Cl2N2O2 — CID 69408891

IUPAC2-nitroaniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O2.2ClH/c7-5-3-1-2-4-6(5)8(9)10;;/h1-4H,7H2;2*1H
InChIKeyHGWYZQBMQDIVDB-UHFFFAOYSA-N
MW211.05 g/mol
LogP2.02
Rot. Bonds1

About 2-nitroaniline;dihydrochloride

2-nitroaniline;dihydrochloride (PubChem CID 69408891) has the molecular formula C6H8Cl2N2O2 and a molecular weight of 211.05 g/mol. Its IUPAC name is 2-nitroaniline;dihydrochloride.

Molecular Properties

Compound Name2-nitroaniline;dihydrochloride
PubChem CID69408891
Molecular FormulaC6H8Cl2N2O2
Molecular Weight211.05 g/mol
Exact Mass210.00
IUPAC Name2-nitroaniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O2.2ClH/c7-5-3-1-2-4-6(5)8(9)10;;/h1-4H,7H2;2*1H
InChIKeyHGWYZQBMQDIVDB-UHFFFAOYSA-N
XLogP2.02
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

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Frequently Asked Questions

What is the IUPAC name of 2-nitroaniline;dihydrochloride?
The IUPAC name of 2-nitroaniline;dihydrochloride (CID 69408891) is 2-nitroaniline;dihydrochloride.
What is the SMILES notation for 2-nitroaniline;dihydrochloride?
The canonical SMILES for 2-nitroaniline;dihydrochloride is Cl.Cl.Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitroaniline;dihydrochloride?
The InChIKey is HGWYZQBMQDIVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.2ClH/c7-5-3-1-2-4-6(5)8(9)10;;/h1-4H,7H2;2*1H.
What are the key properties of 2-nitroaniline;dihydrochloride?
2-nitroaniline;dihydrochloride has a molecular weight of 211.05 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroaniline;dihydrochloride is sourced from PubChem (CID 69408891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).