2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide

C7H6ClN3O3 — CID 25418108

IUPAC2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide
SMILESN/C(=N\O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C7H6ClN3O3/c8-6-2-1-4(11(13)14)3-5(6)7(9)10-12/h1-3,12H,(H2,9,10)
InChIKeyZPQGGKLALGDINR-UHFFFAOYSA-N
MW215.60 g/mol
LogP1.34
Rot. Bonds2

About 2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide

2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide (PubChem CID 25418108) has the molecular formula C7H6ClN3O3 and a molecular weight of 215.60 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide
PubChem CID25418108
Molecular FormulaC7H6ClN3O3
Molecular Weight215.60 g/mol
Exact Mass215.01
IUPAC Name2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide
SMILESN/C(=N\O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C7H6ClN3O3/c8-6-2-1-4(11(13)14)3-5(6)7(9)10-12/h1-3,12H,(H2,9,10)
InChIKeyZPQGGKLALGDINR-UHFFFAOYSA-N
XLogP1.34
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.60
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
CID 76934973
2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 55037200
N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-nitrobenzenecarboximidamide
CID 55037385
CID 161054765
CID 161054765
N'-hydroxy-5-nitro-2-propylsulfanylbenzenecarboximidamide
CID 76935073
N'-hydroxy-2-(2-methylpropylsulfanyl)-5-nitrobenzenecarboximidamide
CID 76935104
2-cyclopentylsulfanyl-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 76982850
N'-hydroxy-2-(2-methylbutan-2-yloxy)-5-nitrobenzenecarboximidamide
CID 76935214
N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide
CID 62923761
N'-hydroxy-2-(5-methylpyrimidin-2-yl)sulfanyl-5-nitrobenzenecarboximidamide
CID 76935254
N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide
CID 58710220
1-(2-chloro-5-nitrophenyl)prop-2-en-1-one
CID 157321447

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide (CID 25418108) is 2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide is N/C(=N\O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide?
The InChIKey is ZPQGGKLALGDINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O3/c8-6-2-1-4(11(13)14)3-5(6)7(9)10-12/h1-3,12H,(H2,9,10).
What are the key properties of 2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide?
2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide has a molecular weight of 215.60 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide is sourced from PubChem (CID 25418108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).