N-(5-bromo-1H-indazol-6-yl)formamide

C8H6BrN3O — CID 168653243

IUPACN-(5-bromo-1H-indazol-6-yl)formamide
SMILESO=CNc1cc2[nH]ncc2cc1Br
InChIInChI=1S/C8H6BrN3O/c9-6-1-5-3-11-12-7(5)2-8(6)10-4-13/h1-4H,(H,10,13)(H,11,12)
InChIKeySZMNXOVZBSVUTI-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.89
Rot. Bonds2

About N-(5-bromo-1H-indazol-6-yl)formamide

N-(5-bromo-1H-indazol-6-yl)formamide (PubChem CID 168653243) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is N-(5-bromo-1H-indazol-6-yl)formamide.

Molecular Properties

Compound NameN-(5-bromo-1H-indazol-6-yl)formamide
PubChem CID168653243
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC NameN-(5-bromo-1H-indazol-6-yl)formamide
SMILESO=CNc1cc2[nH]ncc2cc1Br
InChIInChI=1S/C8H6BrN3O/c9-6-1-5-3-11-12-7(5)2-8(6)10-4-13/h1-4H,(H,10,13)(H,11,12)
InChIKeySZMNXOVZBSVUTI-UHFFFAOYSA-N
XLogP1.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide
CID 146589495
5-bromo-1H-indazol-6-ol
CID 135742438
5-bromo-N-(4-fluorophenyl)-1H-indazol-6-amine
CID 146486341
5-bromo-6-fluoro-1H-indazole
CID 46863923
tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate
CID 118182563
5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
CID 168582775
6-bromo-5-iodo-1H-indazole
CID 156619372
N-(4-bromo-1H-indazol-7-yl)formamide
CID 168653221
6-N-(2,5-dibromophenyl)-1H-indazole-5,6-diamine
CID 107489373
6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine
CID 155285119
6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107491236
2,5-dibromo-4-formamidobenzamide
CID 118012725

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1H-indazol-6-yl)formamide?
The IUPAC name of N-(5-bromo-1H-indazol-6-yl)formamide (CID 168653243) is N-(5-bromo-1H-indazol-6-yl)formamide.
What is the SMILES notation for N-(5-bromo-1H-indazol-6-yl)formamide?
The canonical SMILES for N-(5-bromo-1H-indazol-6-yl)formamide is O=CNc1cc2[nH]ncc2cc1Br.
What is the InChIKey of N-(5-bromo-1H-indazol-6-yl)formamide?
The InChIKey is SZMNXOVZBSVUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-6-1-5-3-11-12-7(5)2-8(6)10-4-13/h1-4H,(H,10,13)(H,11,12).
What are the key properties of N-(5-bromo-1H-indazol-6-yl)formamide?
N-(5-bromo-1H-indazol-6-yl)formamide has a molecular weight of 240.06 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1H-indazol-6-yl)formamide is sourced from PubChem (CID 168653243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).