(NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine

C8H7Cl2NO2 — CID 87389485

IUPAC(NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(Cl)cc(/C=N\O)c1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-13-7-3-6(9)2-5(4-11-12)8(7)10/h2-4,12H,1H3/b11-4-
InChIKeyQKJGVURIMTZLOK-WCIBSUBMSA-N
MW220.06 g/mol
LogP2.81
Rot. Bonds2

About (NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine

(NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 87389485) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.06 g/mol. Its IUPAC name is (NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine
PubChem CID87389485
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.06 g/mol
Exact Mass218.99
IUPAC Name(NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(Cl)cc(/C=N\O)c1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-13-7-3-6(9)2-5(4-11-12)8(7)10/h2-4,12H,1H3/b11-4-
InChIKeyQKJGVURIMTZLOK-WCIBSUBMSA-N
XLogP2.81
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine
CID 71832955
(NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine
CID 169127326
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135567955
(NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
CID 134891354
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
(NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine
CID 22226003
4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 2796783
(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 19617932
2-chloro-6-[(E)-hydroxyiminomethyl]-3-(4-methoxy-3-methylphenyl)phenol
CID 156853388
4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol
CID 136669440
(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine
CID 168530261

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine (CID 87389485) is (NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine is COc1cc(Cl)cc(/C=N\O)c1Cl.
What is the InChIKey of (NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is QKJGVURIMTZLOK-WCIBSUBMSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-13-7-3-6(9)2-5(4-11-12)8(7)10/h2-4,12H,1H3/b11-4-.
What are the key properties of (NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine?
(NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 220.06 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 87389485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).