5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide

C9H11N3O4 — CID 107076386

IUPAC5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide
SMILESCN(C)NC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O4/c1-11(2)10-9(14)7-5-6(13)3-4-8(7)12(15)16/h3-5,13H,1-2H3,(H,10,14)
InChIKeyWRWDVGCETAVUFX-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.51
Rot. Bonds3

About 5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide

5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide (PubChem CID 107076386) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide.

Molecular Properties

Compound Name5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide
PubChem CID107076386
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide
SMILESCN(C)NC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O4/c1-11(2)10-9(14)7-5-6(13)3-4-8(7)12(15)16/h3-5,13H,1-2H3,(H,10,14)
InChIKeyWRWDVGCETAVUFX-UHFFFAOYSA-N
XLogP0.51
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-5-hydroxy-2-nitrobenzamide
CID 102740857
methyl 5-hydroxy-2-nitrobenzoate
CID 12922678
N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
CID 102740736
N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide
CID 112580635
N-(3,3-dimethylbutyl)-5-hydroxy-2-nitrobenzamide
CID 107076627
N-(4,6-dimethylpyrimidin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 102740712
N,N-diethyl-5-hydroxy-2-nitrobenzamide
CID 102740327
5-hydroxy-N-(4-methylsulfanylphenyl)-2-nitrobenzamide
CID 102740539
5-hydroxy-N-(2-methylbutyl)-2-nitrobenzamide
CID 102741753
5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide
CID 102741327
N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide
CID 107363049
5-hydroxy-2-nitro-N-(2,3,3-trimethylbutyl)benzamide
CID 107076426

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide?
The IUPAC name of 5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide (CID 107076386) is 5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide.
What is the SMILES notation for 5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide?
The canonical SMILES for 5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide is CN(C)NC(=O)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide?
The InChIKey is WRWDVGCETAVUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-11(2)10-9(14)7-5-6(13)3-4-8(7)12(15)16/h3-5,13H,1-2H3,(H,10,14).
What are the key properties of 5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide?
5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide has a molecular weight of 225.20 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide is sourced from PubChem (CID 107076386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).