4-methoxy-3,5-dinitrobenzohydrazide

C8H8N4O6 — CID 4298975

IUPAC4-methoxy-3,5-dinitrobenzohydrazide
SMILESCOc1c([N+](=O)[O-])cc(C(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8N4O6/c1-18-7-5(11(14)15)2-4(8(13)10-9)3-6(7)12(16)17/h2-3H,9H2,1H3,(H,10,13)
InChIKeyJSCOYUNWXGICBZ-UHFFFAOYSA-N
MW256.17 g/mol
LogP0.12
Rot. Bonds4

About 4-methoxy-3,5-dinitrobenzohydrazide

4-methoxy-3,5-dinitrobenzohydrazide (PubChem CID 4298975) has the molecular formula C8H8N4O6 and a molecular weight of 256.17 g/mol. Its IUPAC name is 4-methoxy-3,5-dinitrobenzohydrazide.

Molecular Properties

Compound Name4-methoxy-3,5-dinitrobenzohydrazide
PubChem CID4298975
Molecular FormulaC8H8N4O6
Molecular Weight256.17 g/mol
Exact Mass256.04
IUPAC Name4-methoxy-3,5-dinitrobenzohydrazide
SMILESCOc1c([N+](=O)[O-])cc(C(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8N4O6/c1-18-7-5(11(14)15)2-4(8(13)10-9)3-6(7)12(16)17/h2-3H,9H2,1H3,(H,10,13)
InChIKeyJSCOYUNWXGICBZ-UHFFFAOYSA-N
XLogP0.12
TPSA150.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-hydroxy-4-methoxy-5-nitrobenzoate
CID 171036678
3-(3,4-dimethoxy-5-nitrophenyl)-3-oxopropanoate
CID 21459038
4-nitro-1H-indazole-6-carbohydrazide
CID 171066779
3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17050523
3,4-dimethoxy-5-nitro-N-phenylbenzamide
CID 19743065
4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide
CID 132593851
4-chloro-3-nitrobenzohydrazide
CID 3704353
3-cyano-4-methoxy-5-nitrobenzamide
CID 171031401
(2R)-2-[(3,4-dimethoxy-5-nitrobenzoyl)amino]-4-methylpentanoic acid
CID 119364743
4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide
CID 132593791
1-(5-amino-2-methoxy-3-nitrophenyl)ethanone
CID 131574213
4-anilino-3,5-dinitrobenzohydrazide
CID 132593734

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dinitrobenzohydrazide?
The IUPAC name of 4-methoxy-3,5-dinitrobenzohydrazide (CID 4298975) is 4-methoxy-3,5-dinitrobenzohydrazide.
What is the SMILES notation for 4-methoxy-3,5-dinitrobenzohydrazide?
The canonical SMILES for 4-methoxy-3,5-dinitrobenzohydrazide is COc1c([N+](=O)[O-])cc(C(=O)NN)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3,5-dinitrobenzohydrazide?
The InChIKey is JSCOYUNWXGICBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O6/c1-18-7-5(11(14)15)2-4(8(13)10-9)3-6(7)12(16)17/h2-3H,9H2,1H3,(H,10,13).
What are the key properties of 4-methoxy-3,5-dinitrobenzohydrazide?
4-methoxy-3,5-dinitrobenzohydrazide has a molecular weight of 256.17 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dinitrobenzohydrazide is sourced from PubChem (CID 4298975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).