6-nitroindazole-2-carboximidamide;hydrochloride

C8H8ClN5O2 — CID 19382676

IUPAC6-nitroindazole-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1cc2ccc([N+](=O)[O-])cc2n1
InChIInChI=1S/C8H7N5O2.ClH/c9-8(10)12-4-5-1-2-6(13(14)15)3-7(5)11-12;/h1-4H,(H3,9,10);1H
InChIKeyVYNNBQBTKNNRAT-UHFFFAOYSA-N
MW241.64 g/mol
LogP1.11
Rot. Bonds1

About 6-nitroindazole-2-carboximidamide;hydrochloride

6-nitroindazole-2-carboximidamide;hydrochloride (PubChem CID 19382676) has the molecular formula C8H8ClN5O2 and a molecular weight of 241.64 g/mol. Its IUPAC name is 6-nitroindazole-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name6-nitroindazole-2-carboximidamide;hydrochloride
PubChem CID19382676
Molecular FormulaC8H8ClN5O2
Molecular Weight241.64 g/mol
Exact Mass241.04
IUPAC Name6-nitroindazole-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1cc2ccc([N+](=O)[O-])cc2n1
InChIInChI=1S/C8H7N5O2.ClH/c9-8(10)12-4-5-1-2-6(13(14)15)3-7(5)11-12;/h1-4H,(H3,9,10);1H
InChIKeyVYNNBQBTKNNRAT-UHFFFAOYSA-N
XLogP1.11
TPSA110.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-(2-methylphenyl)-6-nitroindazole
CID 620110
2-(4-methylphenyl)-6-nitroindazole
CID 620060
2-(cyclopropylmethyl)-6-nitroindazole
CID 59225440
2-chloro-5-nitrobenzotriazole
CID 142674252
2-amino-5-nitrobenzenecarboximidamide
CID 23570805
4-[2-(6-nitroindazol-2-yl)ethyl]morpholine
CID 66712456
formaldehyde;bis(7-nitroquinoline)
CID 174420238
3,5-dimethyl-4-[(4-nitrophenyl)methyl]pyrazole-1-carboximidamide
CID 19382696
6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole
CID 68611732
7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid
CID 67944496
2-(4-nitrophenyl)ethanimidamide;hydrochloride
CID 46318421
1-hydroxy-6-nitrobenzimidazole;hydrochloride
CID 14062559

Frequently Asked Questions

What is the IUPAC name of 6-nitroindazole-2-carboximidamide;hydrochloride?
The IUPAC name of 6-nitroindazole-2-carboximidamide;hydrochloride (CID 19382676) is 6-nitroindazole-2-carboximidamide;hydrochloride.
What is the SMILES notation for 6-nitroindazole-2-carboximidamide;hydrochloride?
The canonical SMILES for 6-nitroindazole-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)n1cc2ccc([N+](=O)[O-])cc2n1.
What is the InChIKey of 6-nitroindazole-2-carboximidamide;hydrochloride?
The InChIKey is VYNNBQBTKNNRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2.ClH/c9-8(10)12-4-5-1-2-6(13(14)15)3-7(5)11-12;/h1-4H,(H3,9,10);1H.
What are the key properties of 6-nitroindazole-2-carboximidamide;hydrochloride?
6-nitroindazole-2-carboximidamide;hydrochloride has a molecular weight of 241.64 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitroindazole-2-carboximidamide;hydrochloride is sourced from PubChem (CID 19382676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).