5-nitro-1-benzothiophene-2-carbohydrazide

C9H7N3O3S — CID 3847168

IUPAC5-nitro-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1
InChIInChI=1S/C9H7N3O3S/c10-11-9(13)8-4-5-3-6(12(14)15)1-2-7(5)16-8/h1-4H,10H2,(H,11,13)
InChIKeyABXPPZCMVGQVLA-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.41
Rot. Bonds2

About 5-nitro-1-benzothiophene-2-carbohydrazide

5-nitro-1-benzothiophene-2-carbohydrazide (PubChem CID 3847168) has the molecular formula C9H7N3O3S and a molecular weight of 237.24 g/mol. Its IUPAC name is 5-nitro-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-nitro-1-benzothiophene-2-carbohydrazide
PubChem CID3847168
Molecular FormulaC9H7N3O3S
Molecular Weight237.24 g/mol
Exact Mass237.02
IUPAC Name5-nitro-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1
InChIInChI=1S/C9H7N3O3S/c10-11-9(13)8-4-5-3-6(12(14)15)1-2-7(5)16-8/h1-4H,10H2,(H,11,13)
InChIKeyABXPPZCMVGQVLA-UHFFFAOYSA-N
XLogP1.41
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-nitro-N-propyl-1-benzothiophene-2-carboxamide
CID 2765915
N'-(4-nitrobenzoyl)-2-thiophenecarbohydrazide
CID 3097507
N,N-dimethyl-5-nitro-1-benzothiophene-2-carboxamide
CID 1489061
N,N-diethyl-5-nitro-1-benzothiophene-2-carboxamide
CID 1479969
N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide
CID 1489065
2-(4-nitrophenyl)-N-(2-thienylcarbonylamino)acetamide
CID 809216
2-nitro-N'-(2-thienylcarbonyl)benzohydrazide
CID 3108599
N'-[2-(2-nitrophenyl)acetyl]thiophene-2-carbohydrazide
CID 16248533
6-Nitrobenzothiophene-2-carbohydroxamic acid
CID 11736547
5-Nitrobenzothiophene-2-carbohydroxamic acid
CID 58969055
3-nitro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 5684664
5-nitro-N-phenyl-1-benzothiophene-2-carboxamide
CID 1479973

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 5-nitro-1-benzothiophene-2-carbohydrazide (CID 3847168) is 5-nitro-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 5-nitro-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 5-nitro-1-benzothiophene-2-carbohydrazide is NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1.
What is the InChIKey of 5-nitro-1-benzothiophene-2-carbohydrazide?
The InChIKey is ABXPPZCMVGQVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S/c10-11-9(13)8-4-5-3-6(12(14)15)1-2-7(5)16-8/h1-4H,10H2,(H,11,13).
What are the key properties of 5-nitro-1-benzothiophene-2-carbohydrazide?
5-nitro-1-benzothiophene-2-carbohydrazide has a molecular weight of 237.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 3847168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).