3-bromo-2H-indazole-7-carboxamide

C8H6BrN3O — CID 44585512

IUPAC3-bromo-2H-indazole-7-carboxamide
SMILESNC(=O)c1cccc2c(Br)[nH]nc12
InChIInChI=1S/C8H6BrN3O/c9-7-4-2-1-3-5(8(10)13)6(4)11-12-7/h1-3H,(H2,10,13)(H,11,12)
InChIKeyMAXHWVGYGVICIC-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.42
Rot. Bonds1

About 3-bromo-2H-indazole-7-carboxamide

3-bromo-2H-indazole-7-carboxamide (PubChem CID 44585512) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 3-bromo-2H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-bromo-2H-indazole-7-carboxamide
PubChem CID44585512
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name3-bromo-2H-indazole-7-carboxamide
SMILESNC(=O)c1cccc2c(Br)[nH]nc12
InChIInChI=1S/C8H6BrN3O/c9-7-4-2-1-3-5(8(10)13)6(4)11-12-7/h1-3H,(H2,10,13)(H,11,12)
InChIKeyMAXHWVGYGVICIC-UHFFFAOYSA-N
XLogP1.42
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2H-indazole-7-carboxamide?
The IUPAC name of 3-bromo-2H-indazole-7-carboxamide (CID 44585512) is 3-bromo-2H-indazole-7-carboxamide.
What is the SMILES notation for 3-bromo-2H-indazole-7-carboxamide?
The canonical SMILES for 3-bromo-2H-indazole-7-carboxamide is NC(=O)c1cccc2c(Br)[nH]nc12.
What is the InChIKey of 3-bromo-2H-indazole-7-carboxamide?
The InChIKey is MAXHWVGYGVICIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-7-4-2-1-3-5(8(10)13)6(4)11-12-7/h1-3H,(H2,10,13)(H,11,12).
What are the key properties of 3-bromo-2H-indazole-7-carboxamide?
3-bromo-2H-indazole-7-carboxamide has a molecular weight of 240.06 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2H-indazole-7-carboxamide is sourced from PubChem (CID 44585512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).