4-nitro-1H-indazole-6-carboxamide

C8H6N4O3 — CID 171066795

IUPAC4-nitro-1H-indazole-6-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])c2cn[nH]c2c1
InChIInChI=1S/C8H6N4O3/c9-8(13)4-1-6-5(3-10-11-6)7(2-4)12(14)15/h1-3H,(H2,9,13)(H,10,11)
InChIKeyLLKDMGFEJWRDKP-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.57
Rot. Bonds2

About 4-nitro-1H-indazole-6-carboxamide

4-nitro-1H-indazole-6-carboxamide (PubChem CID 171066795) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 4-nitro-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name4-nitro-1H-indazole-6-carboxamide
PubChem CID171066795
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name4-nitro-1H-indazole-6-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])c2cn[nH]c2c1
InChIInChI=1S/C8H6N4O3/c9-8(13)4-1-6-5(3-10-11-6)7(2-4)12(14)15/h1-3H,(H2,9,13)(H,10,11)
InChIKeyLLKDMGFEJWRDKP-UHFFFAOYSA-N
XLogP0.57
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-nitro-1H-indazole-6-carboxylic acid
CID 24728271
4-nitro-1H-indazole-6-carbohydrazide
CID 171066779
methyl 4-nitro-1H-indazole-6-carboxylate
CID 24728064
4-nitro-6-propan-2-yl-1H-indazole
CID 24729319
3-amino-4,5-dinitrobenzamide
CID 131501988
3-cyano-4-methoxy-5-nitrobenzamide
CID 171031401
4-fluoro-3-methyl-5-nitrobenzamide
CID 118821864
4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen
CID 176693426
2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide
CID 122150956
3,5-dinitrobenzamide;hydrochloride
CID 172864761
3-cyano-5-nitro-4-(trifluoromethyl)benzamide
CID 170996247
6-nitro-1H-indazole-5-carbonitrile
CID 76846367

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1H-indazole-6-carboxamide?
The IUPAC name of 4-nitro-1H-indazole-6-carboxamide (CID 171066795) is 4-nitro-1H-indazole-6-carboxamide.
What is the SMILES notation for 4-nitro-1H-indazole-6-carboxamide?
The canonical SMILES for 4-nitro-1H-indazole-6-carboxamide is NC(=O)c1cc([N+](=O)[O-])c2cn[nH]c2c1.
What is the InChIKey of 4-nitro-1H-indazole-6-carboxamide?
The InChIKey is LLKDMGFEJWRDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c9-8(13)4-1-6-5(3-10-11-6)7(2-4)12(14)15/h1-3H,(H2,9,13)(H,10,11).
What are the key properties of 4-nitro-1H-indazole-6-carboxamide?
4-nitro-1H-indazole-6-carboxamide has a molecular weight of 206.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1H-indazole-6-carboxamide is sourced from PubChem (CID 171066795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).