5-bromo-4-chloro-7-methyl-1H-indazole

C8H6BrClN2 — CID 146307871

IUPAC5-bromo-4-chloro-7-methyl-1H-indazole
SMILESCc1cc(Br)c(Cl)c2cn[nH]c12
InChIInChI=1S/C8H6BrClN2/c1-4-2-6(9)7(10)5-3-11-12-8(4)5/h2-3H,1H3,(H,11,12)
InChIKeyJAEIBCQQVSHNFN-UHFFFAOYSA-N
MW245.51 g/mol
LogP3.29
Rot. Bonds

About 5-bromo-4-chloro-7-methyl-1H-indazole

5-bromo-4-chloro-7-methyl-1H-indazole (PubChem CID 146307871) has the molecular formula C8H6BrClN2 and a molecular weight of 245.51 g/mol. Its IUPAC name is 5-bromo-4-chloro-7-methyl-1H-indazole.

Molecular Properties

Compound Name5-bromo-4-chloro-7-methyl-1H-indazole
PubChem CID146307871
Molecular FormulaC8H6BrClN2
Molecular Weight245.51 g/mol
Exact Mass243.94
IUPAC Name5-bromo-4-chloro-7-methyl-1H-indazole
SMILESCc1cc(Br)c(Cl)c2cn[nH]c12
InChIInChI=1S/C8H6BrClN2/c1-4-2-6(9)7(10)5-3-11-12-8(4)5/h2-3H,1H3,(H,11,12)
InChIKeyJAEIBCQQVSHNFN-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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Related Compounds

5-bromo-4-methoxy-7-methyl-1H-indazole
CID 167501479
4-bromo-5,7-dimethyl-1H-indazole
CID 70630386
4,6-dibromo-7-methyl-1H-indazole
CID 164895348
5-chloro-4-iodo-6-methyl-1H-indazole
CID 176951364
2-bromo-5-chloro-4-methyl-N-(4-methyl-1H-indazol-7-yl)benzamide
CID 167786949
5-chloro-4-methyl-1H-pyridazin-6-one;ethane
CID 143900026
ethane;7-methyl-1H-pyrazolo[4,5-c]pyridin-4-amine
CID 169111088
methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate
CID 164940209
4-bromo-5-methyl-1H-pyrazole;ethane
CID 168964269
4-bromo-5,6-dichloro-1H-indazole
CID 139345853
ethane;7-fluoro-4-methyl-1H-indazole
CID 163257667
6-bromo-3,5-dimethyl-2H-indazole;ethane
CID 178017805

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-7-methyl-1H-indazole?
The IUPAC name of 5-bromo-4-chloro-7-methyl-1H-indazole (CID 146307871) is 5-bromo-4-chloro-7-methyl-1H-indazole.
What is the SMILES notation for 5-bromo-4-chloro-7-methyl-1H-indazole?
The canonical SMILES for 5-bromo-4-chloro-7-methyl-1H-indazole is Cc1cc(Br)c(Cl)c2cn[nH]c12.
What is the InChIKey of 5-bromo-4-chloro-7-methyl-1H-indazole?
The InChIKey is JAEIBCQQVSHNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2/c1-4-2-6(9)7(10)5-3-11-12-8(4)5/h2-3H,1H3,(H,11,12).
What are the key properties of 5-bromo-4-chloro-7-methyl-1H-indazole?
5-bromo-4-chloro-7-methyl-1H-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-4-chloro-7-methyl-1H-indazole is sourced from PubChem (CID 146307871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).