molecular nitrogen;4-nitroaniline;hydrochloride

C6H7ClN4O2 — CID 175091269

IUPACmolecular nitrogen;4-nitroaniline;hydrochloride
SMILESCl.N#N.Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H6N2O2.ClH.N2/c7-5-1-3-6(4-2-5)8(9)10;;1-2/h1-4H,7H2;1H;
InChIKeyJFWMKSSXAFDBSX-UHFFFAOYSA-N
MW202.60 g/mol
LogP1.63
Rot. Bonds1

About molecular nitrogen;4-nitroaniline;hydrochloride

molecular nitrogen;4-nitroaniline;hydrochloride (PubChem CID 175091269) has the molecular formula C6H7ClN4O2 and a molecular weight of 202.60 g/mol. Its IUPAC name is molecular nitrogen;4-nitroaniline;hydrochloride.

Molecular Properties

Compound Namemolecular nitrogen;4-nitroaniline;hydrochloride
PubChem CID175091269
Molecular FormulaC6H7ClN4O2
Molecular Weight202.60 g/mol
Exact Mass202.03
IUPAC Namemolecular nitrogen;4-nitroaniline;hydrochloride
SMILESCl.N#N.Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H6N2O2.ClH.N2/c7-5-1-3-6(4-2-5)8(9)10;;1-2/h1-4H,7H2;1H;
InChIKeyJFWMKSSXAFDBSX-UHFFFAOYSA-N
XLogP1.63
TPSA116.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azo_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 molecular nitrogen;4-nitroaniline;hydrochloride?
The IUPAC name of molecular nitrogen;4-nitroaniline;hydrochloride (CID 175091269) is molecular nitrogen;4-nitroaniline;hydrochloride.
What is the SMILES notation for molecular nitrogen;4-nitroaniline;hydrochloride?
The canonical SMILES for molecular nitrogen;4-nitroaniline;hydrochloride is Cl.N#N.Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of molecular nitrogen;4-nitroaniline;hydrochloride?
The InChIKey is JFWMKSSXAFDBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.ClH.N2/c7-5-1-3-6(4-2-5)8(9)10;;1-2/h1-4H,7H2;1H;.
What are the key properties of molecular nitrogen;4-nitroaniline;hydrochloride?
molecular nitrogen;4-nitroaniline;hydrochloride has a molecular weight of 202.60 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular nitrogen;4-nitroaniline;hydrochloride is sourced from PubChem (CID 175091269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).