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

C8H7ClN2O3 — CID 6947081

IUPAC(NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)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/b10-5+
InChIKeyKIIYLFHCSNJNMO-BJMVGYQFSA-N
MW214.61 g/mol
LogP2.45
Rot. Bonds2

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

(NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine (PubChem CID 6947081) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is (NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine
PubChem CID6947081
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC Name(NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)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/b10-5+
InChIKeyKIIYLFHCSNJNMO-BJMVGYQFSA-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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine (CID 6947081) is (NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine is C/C(=N\O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of (NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine?
The InChIKey is KIIYLFHCSNJNMO-BJMVGYQFSA-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/b10-5+.
What are the key properties of (NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine?
(NE)-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 (NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 6947081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).