6-bromo-5-fluoro-2,3-dimethylindazole

C9H8BrFN2 — CID 155895487

IUPAC6-bromo-5-fluoro-2,3-dimethylindazole
SMILESCc1c2cc(F)c(Br)cc2nn1C
InChIInChI=1S/C9H8BrFN2/c1-5-6-3-8(11)7(10)4-9(6)12-13(5)2/h3-4H,1-2H3
InChIKeyJQTVBHFUNRPWJR-UHFFFAOYSA-N
MW243.08 g/mol
LogP2.78
Rot. Bonds

About 6-bromo-5-fluoro-2,3-dimethylindazole

6-bromo-5-fluoro-2,3-dimethylindazole (PubChem CID 155895487) has the molecular formula C9H8BrFN2 and a molecular weight of 243.08 g/mol. Its IUPAC name is 6-bromo-5-fluoro-2,3-dimethylindazole.

Molecular Properties

Compound Name6-bromo-5-fluoro-2,3-dimethylindazole
PubChem CID155895487
Molecular FormulaC9H8BrFN2
Molecular Weight243.08 g/mol
Exact Mass241.99
IUPAC Name6-bromo-5-fluoro-2,3-dimethylindazole
SMILESCc1c2cc(F)c(Br)cc2nn1C
InChIInChI=1S/C9H8BrFN2/c1-5-6-3-8(11)7(10)4-9(6)12-13(5)2/h3-4H,1-2H3
InChIKeyJQTVBHFUNRPWJR-UHFFFAOYSA-N
XLogP2.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2,3-dimethylindazole-5-carbaldehyde
CID 117110361
7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline
CID 165443851
7-bromo-4,6-difluorocinnoline
CID 162682498
5,6-dibromo-2-methylindazole-3-carbonitrile;ethane
CID 170759913
3-bromo-2,6-dimethylindazole
CID 84725646
(6-methoxy-2,3-dimethylindazol-5-yl)methanamine
CID 117110401
2,3-dimethylindazole;ethane
CID 142199070
3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358264
5-bromo-1-tert-butyl-6-fluorobenzimidazole
CID 46739609
1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea
CID 74763932
5-bromo-2-(chloromethyl)-1-(1,3-dimethylpyrazol-4-yl)-6-fluorobenzimidazole
CID 102806455
5-bromo-1-butyl-6-fluorobenzimidazole;hydrochloride
CID 56737691

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-2,3-dimethylindazole?
The IUPAC name of 6-bromo-5-fluoro-2,3-dimethylindazole (CID 155895487) is 6-bromo-5-fluoro-2,3-dimethylindazole.
What is the SMILES notation for 6-bromo-5-fluoro-2,3-dimethylindazole?
The canonical SMILES for 6-bromo-5-fluoro-2,3-dimethylindazole is Cc1c2cc(F)c(Br)cc2nn1C.
What is the InChIKey of 6-bromo-5-fluoro-2,3-dimethylindazole?
The InChIKey is JQTVBHFUNRPWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2/c1-5-6-3-8(11)7(10)4-9(6)12-13(5)2/h3-4H,1-2H3.
What are the key properties of 6-bromo-5-fluoro-2,3-dimethylindazole?
6-bromo-5-fluoro-2,3-dimethylindazole has a molecular weight of 243.08 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-2,3-dimethylindazole is sourced from PubChem (CID 155895487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).