N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride

C7H9ClN2O3 — CID 86662371

IUPACN-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(CNO)cc1
InChIInChI=1S/C7H8N2O3.ClH/c10-8-5-6-1-3-7(4-2-6)9(11)12;/h1-4,8,10H,5H2;1H
InChIKeyZQIDKFWCPZOBTI-UHFFFAOYSA-N
MW204.61 g/mol
LogP1.50
Rot. Bonds3

About N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride

N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 86662371) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
PubChem CID86662371
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC NameN-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(CNO)cc1
InChIInChI=1S/C7H8N2O3.ClH/c10-8-5-6-1-3-7(4-2-6)9(11)12;/h1-4,8,10H,5H2;1H
InChIKeyZQIDKFWCPZOBTI-UHFFFAOYSA-N
XLogP1.50
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride 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-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol
CID 57008616
1-nitro-4-[(sulfinoamino)methyl]benzene
CID 56997161
1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
CID 17332527
1-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 17293373
[5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol
CID 64592355
2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine
CID 62331333
1-N,2-N-bis[(4-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040612
N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 57030248
(2S)-3-methyl-N-[(4-nitrophenyl)methyl]butan-2-amine
CID 28833402
3-methyl-4-[(4-nitrophenyl)methylamino]butan-1-ol
CID 66092473
dideuterio-(4-nitrophenyl)methanol
CID 10241023
potassium 2-(4-nitrophenyl)acetate
CID 15261201

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride (CID 86662371) is N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride is Cl.O=[N+]([O-])c1ccc(CNO)cc1.
What is the InChIKey of N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is ZQIDKFWCPZOBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3.ClH/c10-8-5-6-1-3-7(4-2-6)9(11)12;/h1-4,8,10H,5H2;1H.
What are the key properties of N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride?
N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride has a molecular weight of 204.61 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 86662371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).