N-(4-bromo-1H-indazol-7-yl)formamide

C8H6BrN3O — CID 168653221

IUPACN-(4-bromo-1H-indazol-7-yl)formamide
SMILESO=CNc1ccc(Br)c2cn[nH]c12
InChIInChI=1S/C8H6BrN3O/c9-6-1-2-7(10-4-13)8-5(6)3-11-12-8/h1-4H,(H,10,13)(H,11,12)
InChIKeyUSJOFDARNRBNON-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.89
Rot. Bonds2

About N-(4-bromo-1H-indazol-7-yl)formamide

N-(4-bromo-1H-indazol-7-yl)formamide (PubChem CID 168653221) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is N-(4-bromo-1H-indazol-7-yl)formamide.

Molecular Properties

Compound NameN-(4-bromo-1H-indazol-7-yl)formamide
PubChem CID168653221
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC NameN-(4-bromo-1H-indazol-7-yl)formamide
SMILESO=CNc1ccc(Br)c2cn[nH]c12
InChIInChI=1S/C8H6BrN3O/c9-6-1-2-7(10-4-13)8-5(6)3-11-12-8/h1-4H,(H,10,13)(H,11,12)
InChIKeyUSJOFDARNRBNON-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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1H-indazol-7-yl)formamide?
The IUPAC name of N-(4-bromo-1H-indazol-7-yl)formamide (CID 168653221) is N-(4-bromo-1H-indazol-7-yl)formamide.
What is the SMILES notation for N-(4-bromo-1H-indazol-7-yl)formamide?
The canonical SMILES for N-(4-bromo-1H-indazol-7-yl)formamide is O=CNc1ccc(Br)c2cn[nH]c12.
What is the InChIKey of N-(4-bromo-1H-indazol-7-yl)formamide?
The InChIKey is USJOFDARNRBNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-6-1-2-7(10-4-13)8-5(6)3-11-12-8/h1-4H,(H,10,13)(H,11,12).
What are the key properties of N-(4-bromo-1H-indazol-7-yl)formamide?
N-(4-bromo-1H-indazol-7-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-(4-bromo-1H-indazol-7-yl)formamide is sourced from PubChem (CID 168653221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).