2-hydrazinyl-5-nitroterephthalic acid

C8H7N3O6 — CID 163903740

IUPAC2-hydrazinyl-5-nitroterephthalic acid
SMILESNNc1cc(C(=O)O)c([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C8H7N3O6/c9-10-5-1-4(8(14)15)6(11(16)17)2-3(5)7(12)13/h1-2,10H,9H2,(H,12,13)(H,14,15)
InChIKeyQMCFSDPHTPGYOX-UHFFFAOYSA-N
MW241.16 g/mol
LogP0.28
Rot. Bonds4

About 2-hydrazinyl-5-nitroterephthalic acid

2-hydrazinyl-5-nitroterephthalic acid (PubChem CID 163903740) has the molecular formula C8H7N3O6 and a molecular weight of 241.16 g/mol. Its IUPAC name is 2-hydrazinyl-5-nitroterephthalic acid.

Molecular Properties

Compound Name2-hydrazinyl-5-nitroterephthalic acid
PubChem CID163903740
Molecular FormulaC8H7N3O6
Molecular Weight241.16 g/mol
Exact Mass241.03
IUPAC Name2-hydrazinyl-5-nitroterephthalic acid
SMILESNNc1cc(C(=O)O)c([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C8H7N3O6/c9-10-5-1-4(8(14)15)6(11(16)17)2-3(5)7(12)13/h1-2,10H,9H2,(H,12,13)(H,14,15)
InChIKeyQMCFSDPHTPGYOX-UHFFFAOYSA-N
XLogP0.28
TPSA155.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

4-(2,4-dicarboxy-5-nitrobenzoyl)oxycarbonyl-6-nitrobenzene-1,3-dicarboxylic acid
CID 88777503
4-(ethylamino)-5-nitrophthalic acid
CID 4244645
4,5-difluoro-2-hydrazinylbenzoic acid
CID 83235980
5-nitrobenzene-1,2,3,4-tetracarboxylic acid
CID 21485314
4-(4-carboxy-3-nitrophenyl)-2-nitrobenzoic acid
CID 18966829
5-acetamido-4-ethoxy-2-nitrobenzoic acid
CID 56605207
4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide
CID 62242174
(4-fluoro-5-hydrazinyl-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 62238122
N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236101
4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide
CID 83016957
4-carboxy-3-nitrophenolate
CID 54708016
6-nitro-2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid
CID 22707612

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-nitroterephthalic acid?
The IUPAC name of 2-hydrazinyl-5-nitroterephthalic acid (CID 163903740) is 2-hydrazinyl-5-nitroterephthalic acid.
What is the SMILES notation for 2-hydrazinyl-5-nitroterephthalic acid?
The canonical SMILES for 2-hydrazinyl-5-nitroterephthalic acid is NNc1cc(C(=O)O)c([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 2-hydrazinyl-5-nitroterephthalic acid?
The InChIKey is QMCFSDPHTPGYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O6/c9-10-5-1-4(8(14)15)6(11(16)17)2-3(5)7(12)13/h1-2,10H,9H2,(H,12,13)(H,14,15).
What are the key properties of 2-hydrazinyl-5-nitroterephthalic acid?
2-hydrazinyl-5-nitroterephthalic acid has a molecular weight of 241.16 g/mol, XLogP of 0.28, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-nitroterephthalic acid is sourced from PubChem (CID 163903740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).