N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide

C8H9N3O3 — CID 124679312

IUPACN'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide
SMILESCc1cccc([N+](=O)[O-])c1C(N)=NO
InChIInChI=1S/C8H9N3O3/c1-5-3-2-4-6(11(13)14)7(5)8(9)10-12/h2-4,12H,1H3,(H2,9,10)
InChIKeyYCCADPMRZOUJQA-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.00
Rot. Bonds2

About N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide

N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide (PubChem CID 124679312) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide
PubChem CID124679312
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC NameN'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide
SMILESCc1cccc([N+](=O)[O-])c1C(N)=NO
InChIInChI=1S/C8H9N3O3/c1-5-3-2-4-6(11(13)14)7(5)8(9)10-12/h2-4,12H,1H3,(H2,9,10)
InChIKeyYCCADPMRZOUJQA-UHFFFAOYSA-N
XLogP1.00
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.00
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

(2-methyl-6-nitrobenzoyl) 2-methyl-6-nitrobenzoate
CID 10472648
(1-amino-1-oxopropan-2-yl) 2-methyl-6-nitrobenzoate
CID 42925765
[(2S)-1-amino-1-oxopropan-2-yl] 2-methyl-6-nitrobenzoate
CID 33350919
N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide
CID 134574788
(2Z)-2-[amino-(2-methyl-6-nitrophenyl)methylidene]butanenitrile
CID 113365294
propyl 2-methyl-6-nitrobenzoate
CID 43416519
2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 79755848
methyl 2-methyl-6-nitrobenzoate;2-methyl-6-nitrobenzoic acid
CID 158472123
N'-hydroxy-4-(2-methylphenyl)sulfanyl-3-nitrobenzenecarboximidamide
CID 76935026
N'-hydroxy-4-(2-methylphenoxy)-3-nitrobenzenecarboximidamide
CID 76935049
(3,4-dihydroxypyrrolidin-1-yl)-(2-methyl-6-nitrophenyl)methanone
CID 106671007
ethyl 2-[(2-methyl-6-nitrobenzoyl)amino]acetate
CID 54920998

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide (CID 124679312) is N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide is Cc1cccc([N+](=O)[O-])c1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide?
The InChIKey is YCCADPMRZOUJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-5-3-2-4-6(11(13)14)7(5)8(9)10-12/h2-4,12H,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide?
N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide has a molecular weight of 195.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide is sourced from PubChem (CID 124679312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).