N'-acetyl-2-hydroxy-5-nitrobenzohydrazide

C9H9N3O5 — CID 102383620

IUPACN'-acetyl-2-hydroxy-5-nitrobenzohydrazide
SMILESCC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C9H9N3O5/c1-5(13)10-11-9(15)7-4-6(12(16)17)2-3-8(7)14/h2-4,14H,1H3,(H,10,13)(H,11,15)
InChIKeyIIGXBPFZHFCKRI-UHFFFAOYSA-N
MW239.19 g/mol
LogP0.08
Rot. Bonds2

About N'-acetyl-2-hydroxy-5-nitrobenzohydrazide

N'-acetyl-2-hydroxy-5-nitrobenzohydrazide (PubChem CID 102383620) has the molecular formula C9H9N3O5 and a molecular weight of 239.19 g/mol. Its IUPAC name is N'-acetyl-2-hydroxy-5-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-hydroxy-5-nitrobenzohydrazide
PubChem CID102383620
Molecular FormulaC9H9N3O5
Molecular Weight239.19 g/mol
Exact Mass239.05
IUPAC NameN'-acetyl-2-hydroxy-5-nitrobenzohydrazide
SMILESCC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C9H9N3O5/c1-5(13)10-11-9(15)7-4-6(12(16)17)2-3-8(7)14/h2-4,14H,1H3,(H,10,13)(H,11,15)
InChIKeyIIGXBPFZHFCKRI-UHFFFAOYSA-N
XLogP0.08
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 50.08
H-Bond Donors ≤ 53
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'-acetyl-2-fluoro-5-nitrobenzohydrazide
CID 61216707
N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
CID 3351512
1-(2-hydroxy-5-nitrophenyl)ethanethione
CID 136728864
1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one
CID 13157008
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
1-(2-hydroxy-5-nitrophenyl)butan-1-one
CID 23019315
N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide
CID 72707126
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
N-(2,2-dimethyloxan-4-yl)-2-hydroxy-5-nitrobenzamide
CID 102553904
2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid
CID 151467946
[3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone
CID 166446115
2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
CID 141401924

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-hydroxy-5-nitrobenzohydrazide?
The IUPAC name of N'-acetyl-2-hydroxy-5-nitrobenzohydrazide (CID 102383620) is N'-acetyl-2-hydroxy-5-nitrobenzohydrazide.
What is the SMILES notation for N'-acetyl-2-hydroxy-5-nitrobenzohydrazide?
The canonical SMILES for N'-acetyl-2-hydroxy-5-nitrobenzohydrazide is CC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N'-acetyl-2-hydroxy-5-nitrobenzohydrazide?
The InChIKey is IIGXBPFZHFCKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O5/c1-5(13)10-11-9(15)7-4-6(12(16)17)2-3-8(7)14/h2-4,14H,1H3,(H,10,13)(H,11,15).
What are the key properties of N'-acetyl-2-hydroxy-5-nitrobenzohydrazide?
N'-acetyl-2-hydroxy-5-nitrobenzohydrazide has a molecular weight of 239.19 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-hydroxy-5-nitrobenzohydrazide is sourced from PubChem (CID 102383620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).