N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine

C8H7ClN2O3 — CID 821802

IUPACN-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H7ClN2O3/c1-5(10-12)7-4-6(11(13)14)2-3-8(7)9/h2-4,12H,1H3
InChIKeyKIIYLFHCSNJNMO-UHFFFAOYSA-N
MW214.61 g/mol
LogP2.45
Rot. Bonds2

About N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine

N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine (PubChem CID 821802) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine
PubChem CID821802
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC NameN-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H7ClN2O3/c1-5(10-12)7-4-6(11(13)14)2-3-8(7)9/h2-4,12H,1H3
InChIKeyKIIYLFHCSNJNMO-UHFFFAOYSA-N
XLogP2.45
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 52.45
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-3-nitrotoluene
CID 77591
1-Chloro-2-(chloromethyl)-4-nitrobenzene
CID 286563
2-Chloro-4-fluoro-5-nitrotoluene
CID 10103979
alpha-Chloro-3-nitrobenzaldoxime
CID 2756318
(1Z)-N-hydroxy-3-nitrobenzenecarboximidoyl chloride
CID 5706362
N-Hydroxy-3-nitrobenzimidoyl chloride
CID 5774548
(E)-1-(3-Nitrophenyl)ethanone oxime
CID 9569523
4-Chloro-N-(3-nitrobenzylidene)-aniline
CID 690813
Benzaldehyde, 2-chloro-5-nitro-, oxime
CID 2060608
2-Chloro-5-nitrobenzaldehyde oxime
CID 6898724
4-Chloro-3-nitrobenzaldehyde oxime
CID 9632460

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine (CID 821802) is N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine is CC(=NO)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine?
The InChIKey is KIIYLFHCSNJNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c1-5(10-12)7-4-6(11(13)14)2-3-8(7)9/h2-4,12H,1H3.
What are the key properties of N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine?
N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine has a molecular weight of 214.61 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 821802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).