5-bromo-1H-indazole-3-carboxamide

C8H6BrN3O — CID 91809596

IUPAC5-bromo-1H-indazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(8(10)13)12-11-6/h1-3H,(H2,10,13)(H,11,12)
InChIKeyBLPIUDHMDGSMME-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.42
Rot. Bonds1

About 5-bromo-1H-indazole-3-carboxamide

5-bromo-1H-indazole-3-carboxamide (PubChem CID 91809596) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 5-bromo-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-1H-indazole-3-carboxamide
PubChem CID91809596
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name5-bromo-1H-indazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(8(10)13)12-11-6/h1-3H,(H2,10,13)(H,11,12)
InChIKeyBLPIUDHMDGSMME-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 5-bromo-1H-indazole-3-carboxamide?
The IUPAC name of 5-bromo-1H-indazole-3-carboxamide (CID 91809596) is 5-bromo-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-1H-indazole-3-carboxamide?
The canonical SMILES for 5-bromo-1H-indazole-3-carboxamide is NC(=O)c1n[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-1H-indazole-3-carboxamide?
The InChIKey is BLPIUDHMDGSMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(8(10)13)12-11-6/h1-3H,(H2,10,13)(H,11,12).
What are the key properties of 5-bromo-1H-indazole-3-carboxamide?
5-bromo-1H-indazole-3-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 5-bromo-1H-indazole-3-carboxamide is sourced from PubChem (CID 91809596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).