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

C8H6BrClN2 — CID 66920438

IUPAC5-bromo-7-chloro-3-methyl-2H-indazole
SMILESCc1[nH]nc2c(Cl)cc(Br)cc12
InChIInChI=1S/C8H6BrClN2/c1-4-6-2-5(9)3-7(10)8(6)12-11-4/h2-3H,1H3,(H,11,12)
InChIKeyINSPCFHVMNLUFF-UHFFFAOYSA-N
MW245.51 g/mol
LogP3.29
Rot. Bonds

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

5-bromo-7-chloro-3-methyl-2H-indazole (PubChem CID 66920438) has the molecular formula C8H6BrClN2 and a molecular weight of 245.51 g/mol. Its IUPAC name is 5-bromo-7-chloro-3-methyl-2H-indazole.

Molecular Properties

Compound Name5-bromo-7-chloro-3-methyl-2H-indazole
PubChem CID66920438
Molecular FormulaC8H6BrClN2
Molecular Weight245.51 g/mol
Exact Mass243.94
IUPAC Name5-bromo-7-chloro-3-methyl-2H-indazole
SMILESCc1[nH]nc2c(Cl)cc(Br)cc12
InChIInChI=1S/C8H6BrClN2/c1-4-6-2-5(9)3-7(10)8(6)12-11-4/h2-3H,1H3,(H,11,12)
InChIKeyINSPCFHVMNLUFF-UHFFFAOYSA-N
XLogP3.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-3-methyl-2H-indazole?
The IUPAC name of 5-bromo-7-chloro-3-methyl-2H-indazole (CID 66920438) is 5-bromo-7-chloro-3-methyl-2H-indazole.
What is the SMILES notation for 5-bromo-7-chloro-3-methyl-2H-indazole?
The canonical SMILES for 5-bromo-7-chloro-3-methyl-2H-indazole is Cc1[nH]nc2c(Cl)cc(Br)cc12.
What is the InChIKey of 5-bromo-7-chloro-3-methyl-2H-indazole?
The InChIKey is INSPCFHVMNLUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2/c1-4-6-2-5(9)3-7(10)8(6)12-11-4/h2-3H,1H3,(H,11,12).
What are the key properties of 5-bromo-7-chloro-3-methyl-2H-indazole?
5-bromo-7-chloro-3-methyl-2H-indazole has a molecular weight of 245.51 g/mol, XLogP of 3.29, 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 is sourced from PubChem (CID 66920438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).