4-bromo-7-fluoro-3-methyl-2H-indazole

C8H6BrFN2 — CID 118989920

IUPAC4-bromo-7-fluoro-3-methyl-2H-indazole
SMILESCc1[nH]nc2c(F)ccc(Br)c12
InChIInChI=1S/C8H6BrFN2/c1-4-7-5(9)2-3-6(10)8(7)12-11-4/h2-3H,1H3,(H,11,12)
InChIKeyJIYDWJHFEWTBDX-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.77
Rot. Bonds

About 4-bromo-7-fluoro-3-methyl-2H-indazole

4-bromo-7-fluoro-3-methyl-2H-indazole (PubChem CID 118989920) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 4-bromo-7-fluoro-3-methyl-2H-indazole.

Molecular Properties

Compound Name4-bromo-7-fluoro-3-methyl-2H-indazole
PubChem CID118989920
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name4-bromo-7-fluoro-3-methyl-2H-indazole
SMILESCc1[nH]nc2c(F)ccc(Br)c12
InChIInChI=1S/C8H6BrFN2/c1-4-7-5(9)2-3-6(10)8(7)12-11-4/h2-3H,1H3,(H,11,12)
InChIKeyJIYDWJHFEWTBDX-UHFFFAOYSA-N
XLogP2.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,7-difluoro-3-methyl-2H-indazole
CID 70307019
4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole
CID 118992187
3-bromo-6-fluoro-7-methyl-2H-indazole
CID 114589294
7-fluoro-4-methyl-2H-indazole-3-carboxylic acid
CID 130048589
6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen
CID 176569787
3,4-dibromo-6-fluoro-7-methyl-2H-indazole
CID 171662324
5-bromo-4-methoxy-3-methyl-2H-indazole
CID 84702333
3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole
CID 171662451
6-chloro-4-fluoro-3-methyl-2H-indazole
CID 89425145
7-bromo-3,4,5,6-tetramethyl-2H-indazole
CID 151314645
4,8-dibromo-5-fluoroquinoline
CID 107627841
3-methyl-2H-phenanthro[9,10-c]pyrazole
CID 134820650

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-fluoro-3-methyl-2H-indazole?
The IUPAC name of 4-bromo-7-fluoro-3-methyl-2H-indazole (CID 118989920) is 4-bromo-7-fluoro-3-methyl-2H-indazole.
What is the SMILES notation for 4-bromo-7-fluoro-3-methyl-2H-indazole?
The canonical SMILES for 4-bromo-7-fluoro-3-methyl-2H-indazole is Cc1[nH]nc2c(F)ccc(Br)c12.
What is the InChIKey of 4-bromo-7-fluoro-3-methyl-2H-indazole?
The InChIKey is JIYDWJHFEWTBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c1-4-7-5(9)2-3-6(10)8(7)12-11-4/h2-3H,1H3,(H,11,12).
What are the key properties of 4-bromo-7-fluoro-3-methyl-2H-indazole?
4-bromo-7-fluoro-3-methyl-2H-indazole has a molecular weight of 229.05 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-fluoro-3-methyl-2H-indazole is sourced from PubChem (CID 118989920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).