N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine

C7H5ClN2O3 — CID 2060608

IUPACN-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(Cl)c(C=NO)c1
InChIInChI=1S/C7H5ClN2O3/c8-7-2-1-6(10(12)13)3-5(7)4-9-11/h1-4,11H
InChIKeyBCVYAFHZIZEYLS-UHFFFAOYSA-N
MW200.58 g/mol
LogP2.06
Rot. Bonds2

About N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine

N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine (PubChem CID 2060608) has the molecular formula C7H5ClN2O3 and a molecular weight of 200.58 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine
PubChem CID2060608
Molecular FormulaC7H5ClN2O3
Molecular Weight200.58 g/mol
Exact Mass200.00
IUPAC NameN-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(Cl)c(C=NO)c1
InChIInChI=1S/C7H5ClN2O3/c8-7-2-1-6(10(12)13)3-5(7)4-9-11/h1-4,11H
InChIKeyBCVYAFHZIZEYLS-UHFFFAOYSA-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

Benzene, 1-chloro-2-methyl-4-nitro-
CID 83315
2-Chloro-5-nitrobenzotrifluoride
CID 61213
2-Chloro-5-nitrobenzonitrile
CID 85504
1-Chloro-2-(chloromethyl)-4-nitrobenzene
CID 286563
Hydrazinecarboximidamide, 2-((4-chloro-3-nitrophenyl)methylene)-
CID 9560225
3-Nitrobenzaldoxime
CID 219132
2-Chloro-4-fluoro-5-nitrotoluene
CID 10103979
[(E)-(2-chloro-5-nitrophenyl)methylideneamino]thiourea
CID 6861645
Benzaldehyde, 3-nitro-, oxime
CID 5354053
alpha-Chloro-3-nitrobenzaldoxime
CID 2756318
(1Z)-N-hydroxy-3-nitrobenzenecarboximidoyl chloride
CID 5706362
N-Hydroxy-4-nitrobenzimidoyl Chloride
CID 5706363

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine (CID 2060608) is N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine is O=[N+]([O-])c1ccc(Cl)c(C=NO)c1.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine?
The InChIKey is BCVYAFHZIZEYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3/c8-7-2-1-6(10(12)13)3-5(7)4-9-11/h1-4,11H.
What are the key properties of N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine?
N-[(2-chloro-5-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 N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 2060608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).