5-bromo-7-chloro-3-methyl-2H-indazole;ethane

C10H12BrClN2 — CID 177061634

IUPAC5-bromo-7-chloro-3-methyl-2H-indazole;ethane
SMILESCC.Cc1[nH]nc2c(Cl)cc(Br)cc12
InChIInChI=1S/C8H6BrClN2.C2H6/c1-4-6-2-5(9)3-7(10)8(6)12-11-4;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeyYTNPWNNEPQNADM-UHFFFAOYSA-N
MW275.58 g/mol
LogP4.31
Rot. Bonds

About 5-bromo-7-chloro-3-methyl-2H-indazole;ethane

5-bromo-7-chloro-3-methyl-2H-indazole;ethane (PubChem CID 177061634) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is 5-bromo-7-chloro-3-methyl-2H-indazole;ethane.

Molecular Properties

Compound Name5-bromo-7-chloro-3-methyl-2H-indazole;ethane
PubChem CID177061634
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC Name5-bromo-7-chloro-3-methyl-2H-indazole;ethane
SMILESCC.Cc1[nH]nc2c(Cl)cc(Br)cc12
InChIInChI=1S/C8H6BrClN2.C2H6/c1-4-6-2-5(9)3-7(10)8(6)12-11-4;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeyYTNPWNNEPQNADM-UHFFFAOYSA-N
XLogP4.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-7-chloro-3-methyl-2H-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

2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile
CID 165368572
5-Bromo-3-methyl-1H-indazole
CID 22558740
3-bromo-5-chloro-1H-indazole
CID 24728199
5-Bromo-3-chloro-1H-indazole
CID 24728237
5-bromo-3-(propan-2-yl)-1H-indazole
CID 59222340
1-(5-bromo-2H-indazol-3-yl)propan-2-amine
CID 10131247
5-Bromo-6-fluoro-3-methyl-1H-indazole
CID 53408118
5-bromo-7-fluoro-3-methyl-1H-indazole
CID 70840938
5-bromo-3-ethyl-7-fluoro-2H-indazole
CID 70841060
7-chloro-5-fluoro-3-methyl-2H-indazole
CID 84659817
5-chloro-3-ethyl-7-fluoro-2H-indazole
CID 89021100
7-chloro-3-ethyl-5-fluoro-2H-indazole
CID 89021101

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-3-methyl-2H-indazole;ethane?
The IUPAC name of 5-bromo-7-chloro-3-methyl-2H-indazole;ethane (CID 177061634) is 5-bromo-7-chloro-3-methyl-2H-indazole;ethane.
What is the SMILES notation for 5-bromo-7-chloro-3-methyl-2H-indazole;ethane?
The canonical SMILES for 5-bromo-7-chloro-3-methyl-2H-indazole;ethane is CC.Cc1[nH]nc2c(Cl)cc(Br)cc12.
What is the InChIKey of 5-bromo-7-chloro-3-methyl-2H-indazole;ethane?
The InChIKey is YTNPWNNEPQNADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2.C2H6/c1-4-6-2-5(9)3-7(10)8(6)12-11-4;1-2/h2-3H,1H3,(H,11,12);1-2H3.
What are the key properties of 5-bromo-7-chloro-3-methyl-2H-indazole;ethane?
5-bromo-7-chloro-3-methyl-2H-indazole;ethane has a molecular weight of 275.58 g/mol, XLogP of 4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-3-methyl-2H-indazole;ethane is sourced from PubChem (CID 177061634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).