(NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine

C7H5ClN2O3 — CID 91620003

IUPAC(NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(/C=N\O)cc1Cl
InChIInChI=1S/C7H5ClN2O3/c8-6-3-5(4-9-11)1-2-7(6)10(12)13/h1-4,11H/b9-4-
InChIKeyWBJKUVQIVDUOPO-WTKPLQERSA-N
MW200.58 g/mol
LogP2.06
Rot. Bonds2

About (NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine

(NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine (PubChem CID 91620003) has the molecular formula C7H5ClN2O3 and a molecular weight of 200.58 g/mol. Its IUPAC name is (NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine
PubChem CID91620003
Molecular FormulaC7H5ClN2O3
Molecular Weight200.58 g/mol
Exact Mass200.00
IUPAC Name(NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(/C=N\O)cc1Cl
InChIInChI=1S/C7H5ClN2O3/c8-6-3-5(4-9-11)1-2-7(6)10(12)13/h1-4,11H/b9-4-
InChIKeyWBJKUVQIVDUOPO-WTKPLQERSA-N
XLogP2.06
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.58
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(3-methyl-4-nitrophenyl)methylidene]hydroxylamine
CID 59034617
5-(hydroxyiminomethyl)-2-nitrobenzoic acid
CID 172829648
N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine
CID 1476960
2-chloro-4-(hydroxyiminomethyl)benzonitrile
CID 73410963
N-[(3-chloro-4-nitrophenyl)methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 4601175
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
1-chloro-4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2-nitrobenzene
CID 125465323
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol
CID 136704830
1-chloro-2-nitrobenzene;methanol
CID 157371441
N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride
CID 174826188

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine (CID 91620003) is (NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine is O=[N+]([O-])c1ccc(/C=N\O)cc1Cl.
What is the InChIKey of (NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine?
The InChIKey is WBJKUVQIVDUOPO-WTKPLQERSA-N. The full InChI is InChI=1S/C7H5ClN2O3/c8-6-3-5(4-9-11)1-2-7(6)10(12)13/h1-4,11H/b9-4-.
What are the key properties of (NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine?
(NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine has a molecular weight of 200.58 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 91620003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).