2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid

C9H11N3O4 — CID 83016908

IUPAC2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid
SMILESCN(C)Nc1ccc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C9H11N3O4/c1-11(2)10-8-4-3-6(12(15)16)5-7(8)9(13)14/h3-5,10H,1-2H3,(H,13,14)
InChIKeyYBZAVCJWUGIVMT-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.18
Rot. Bonds4

About 2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid

2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid (PubChem CID 83016908) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid
PubChem CID83016908
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid
SMILESCN(C)Nc1ccc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C9H11N3O4/c1-11(2)10-8-4-3-6(12(15)16)5-7(8)9(13)14/h3-5,10H,1-2H3,(H,13,14)
InChIKeyYBZAVCJWUGIVMT-UHFFFAOYSA-N
XLogP1.18
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.18
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

2-[[2-(dimethylamino)-2-oxoethyl]amino]-5-nitrobenzoic acid
CID 43214510
2-(2-methylpropanoylamino)-5-nitrobenzoic acid
CID 16770490
2-[(2E)-2-ethylidenehydrazinyl]-5-nitrobenzoic acid
CID 155363342
2-[2-[ethyl(methyl)amino]ethylamino]-5-nitrobenzoic acid
CID 55097837
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-nitrobenzoic acid
CID 106190000
5-nitro-2-(2,4,6-trimethylanilino)benzoic acid
CID 23941296
4-(2,2-dimethylhydrazinyl)-3-nitrobenzoic acid
CID 83015837
2-iodo-5-nitrobenzoic acid
CID 3848745
5-nitro-2-(trifluoromethylsulfonylamino)benzoic acid
CID 63110787
2-(2,3-dimethylbutylamino)-5-nitrobenzoic acid
CID 64597325
5-nitro-2-(pentylamino)benzoic acid
CID 29269659
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-nitrobenzoic acid
CID 18405577

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid?
The IUPAC name of 2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid (CID 83016908) is 2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid.
What is the SMILES notation for 2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid?
The canonical SMILES for 2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid is CN(C)Nc1ccc([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid?
The InChIKey is YBZAVCJWUGIVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-11(2)10-8-4-3-6(12(15)16)5-7(8)9(13)14/h3-5,10H,1-2H3,(H,13,14).
What are the key properties of 2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid?
2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid has a molecular weight of 225.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid is sourced from PubChem (CID 83016908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).