N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide

C9H8IN3O2 — CID 88533306

IUPACN-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide
SMILESCN(O)C(=O)c1n[nH]c2ccc(I)cc12
InChIInChI=1S/C9H8IN3O2/c1-13(15)9(14)8-6-4-5(10)2-3-7(6)11-12-8/h2-4,15H,1H3,(H,11,12)
InChIKeyPQIBZZAOALELRV-UHFFFAOYSA-N
MW317.09 g/mol
LogP1.63
Rot. Bonds1

About N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide

N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide (PubChem CID 88533306) has the molecular formula C9H8IN3O2 and a molecular weight of 317.09 g/mol. Its IUPAC name is N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide
PubChem CID88533306
Molecular FormulaC9H8IN3O2
Molecular Weight317.09 g/mol
Exact Mass316.97
IUPAC NameN-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide
SMILESCN(O)C(=O)c1n[nH]c2ccc(I)cc12
InChIInChI=1S/C9H8IN3O2/c1-13(15)9(14)8-6-4-5(10)2-3-7(6)11-12-8/h2-4,15H,1H3,(H,11,12)
InChIKeyPQIBZZAOALELRV-UHFFFAOYSA-N
XLogP1.63
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.09
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide
CID 120945759
5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide
CID 54944712
5-N,5-N-dimethyl-1H-indazole-3,5-dicarboxamide
CID 145143152
5-amino-N-(4-hydroxyphenyl)-N-methyl-1H-indazole-3-carboxamide
CID 107733029
N-(1-hydroxypropan-2-yl)-N,5-dimethyl-1H-indazole-3-carboxamide
CID 109388543
5-amino-N,N-bis(cyanomethyl)-1H-indazole-3-carboxamide
CID 54944392
2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 62818630
5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide
CID 81053101
5-amino-N-(cyclopentylmethyl)-N-methyl-1H-indazole-3-carboxamide
CID 63632080
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide
CID 78867975
5-iodo-3-methoxy-1H-indazole
CID 133062595
5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide
CID 94177007

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide (CID 88533306) is N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide is CN(O)C(=O)c1n[nH]c2ccc(I)cc12.
What is the InChIKey of N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is PQIBZZAOALELRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3O2/c1-13(15)9(14)8-6-4-5(10)2-3-7(6)11-12-8/h2-4,15H,1H3,(H,11,12).
What are the key properties of N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide?
N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 317.09 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 88533306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).