2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide

C8H6N6O4 — CID 12962786

IUPAC2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C8H6N6O4/c15-6-4(2-1-3-5(6)14(17)18)7(16)9-8-10-12-13-11-8/h1-3,15H,(H2,9,10,11,12,13,16)
InChIKeyXZIYLVYRSWZLLM-UHFFFAOYSA-N
MW250.17 g/mol
LogP0.07
Rot. Bonds3

About 2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide

2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 12962786) has the molecular formula C8H6N6O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is 2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide
PubChem CID12962786
Molecular FormulaC8H6N6O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C8H6N6O4/c15-6-4(2-1-3-5(6)14(17)18)7(16)9-8-10-12-13-11-8/h1-3,15H,(H2,9,10,11,12,13,16)
InChIKeyXZIYLVYRSWZLLM-UHFFFAOYSA-N
XLogP0.07
TPSA146.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 13267886
3-methyl-2-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 13267889
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide
CID 5100620
N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-hydroxy-3-nitrobenzamide
CID 71914798
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 20537499
N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide
CID 102741844
2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112696758
N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740871

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide (CID 12962786) is 2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[nH]n1)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is XZIYLVYRSWZLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6O4/c15-6-4(2-1-3-5(6)14(17)18)7(16)9-8-10-12-13-11-8/h1-3,15H,(H2,9,10,11,12,13,16).
What are the key properties of 2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide?
2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 250.17 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 12962786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).