5-bromo-1H-indazole;ethane

C9H11BrN2 — CID 143475465

IUPAC5-bromo-1H-indazole;ethane
SMILESBrc1ccc2[nH]ncc2c1.CC
InChIInChI=1S/C7H5BrN2.C2H6/c8-6-1-2-7-5(3-6)4-9-10-7;1-2/h1-4H,(H,9,10);1-2H3
InChIKeyLBDOZMGICJYRAZ-UHFFFAOYSA-N
MW227.11 g/mol
LogP3.35
Rot. Bonds

About 5-bromo-1H-indazole;ethane

5-bromo-1H-indazole;ethane (PubChem CID 143475465) has the molecular formula C9H11BrN2 and a molecular weight of 227.11 g/mol. Its IUPAC name is 5-bromo-1H-indazole;ethane.

Molecular Properties

Compound Name5-bromo-1H-indazole;ethane
PubChem CID143475465
Molecular FormulaC9H11BrN2
Molecular Weight227.11 g/mol
Exact Mass226.01
IUPAC Name5-bromo-1H-indazole;ethane
SMILESBrc1ccc2[nH]ncc2c1.CC
InChIInChI=1S/C7H5BrN2.C2H6/c8-6-1-2-7-5(3-6)4-9-10-7;1-2/h1-4H,(H,9,10);1-2H3
InChIKeyLBDOZMGICJYRAZ-UHFFFAOYSA-N
XLogP3.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-1H-indazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Indazol-6-amine
CID 81423
1H-Indazol-5-amine
CID 88012
1H-Indazole
CID 9221
6-Bromo-1H-indazol-4-amine
CID 24728063
5-bromo-1H-indazole
CID 761929
6-Bromo-1H-indazole
CID 17842471
4-bromo-1H-indazole
CID 22352548
3-Bromo-1H-indazole
CID 721568
3-Amino-5-bromo-1H-indazole
CID 817910
5-Iodo-1H-indazole
CID 21894739
7-Methyl-1H-indazole
CID 820797
4-Methyl-1H-indazole
CID 820806

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indazole;ethane?
The IUPAC name of 5-bromo-1H-indazole;ethane (CID 143475465) is 5-bromo-1H-indazole;ethane.
What is the SMILES notation for 5-bromo-1H-indazole;ethane?
The canonical SMILES for 5-bromo-1H-indazole;ethane is Brc1ccc2[nH]ncc2c1.CC.
What is the InChIKey of 5-bromo-1H-indazole;ethane?
The InChIKey is LBDOZMGICJYRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2.C2H6/c8-6-1-2-7-5(3-6)4-9-10-7;1-2/h1-4H,(H,9,10);1-2H3.
What are the key properties of 5-bromo-1H-indazole;ethane?
5-bromo-1H-indazole;ethane has a molecular weight of 227.11 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indazole;ethane is sourced from PubChem (CID 143475465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).