5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole

C14H9Br2FN4 — CID 158761275

IUPAC5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole
SMILESBrc1ccc2[nH]ncc2c1.Fc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C7H4BrFN2.C7H5BrN2/c8-4-1-2-6-5(3-4)7(9)11-10-6;8-6-1-2-7-5(3-6)4-9-10-7/h1-3H,(H,10,11);1-4H,(H,9,10)
InChIKeyIORWMAPAGGBGPH-UHFFFAOYSA-N
MW412.06 g/mol
LogP4.79
Rot. Bonds

About 5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole

5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole (PubChem CID 158761275) has the molecular formula C14H9Br2FN4 and a molecular weight of 412.06 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole.

Molecular Properties

Compound Name5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole
PubChem CID158761275
Molecular FormulaC14H9Br2FN4
Molecular Weight412.06 g/mol
Exact Mass409.92
IUPAC Name5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole
SMILESBrc1ccc2[nH]ncc2c1.Fc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C7H4BrFN2.C7H5BrN2/c8-4-1-2-6-5(3-4)7(9)11-10-6;8-6-1-2-7-5(3-6)4-9-10-7/h1-3H,(H,10,11);1-4H,(H,9,10)
InChIKeyIORWMAPAGGBGPH-UHFFFAOYSA-N
XLogP4.79
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.06
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-fluoro-2H-indazole
CID 66793399
5-bromo-3-iodo-2H-indazole
CID 23156224
5-bromo-3-(fluoromethyl)-2H-indazole
CID 84692330
5-[(4-bromophenyl)methoxy]-1H-indazole
CID 169488870
5-bromo-6-fluoro-1H-indazole
CID 46863923
(3-fluoro-2H-indazol-5-yl)methanamine
CID 167375021
1H-indazole-5-thiolate
CID 51922109
8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline
CID 66574972
5-bromo-3-methylsulfonyl-2H-indazole
CID 54229595
3-fluoro-2H-indazole-5-carboxylic acid
CID 118879459
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
5-(5-bromo-2-nitrophenyl)-1H-indazole
CID 90219551

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole?
The IUPAC name of 5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole (CID 158761275) is 5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole.
What is the SMILES notation for 5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole?
The canonical SMILES for 5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole is Brc1ccc2[nH]ncc2c1.Fc1[nH]nc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole?
The InChIKey is IORWMAPAGGBGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2.C7H5BrN2/c8-4-1-2-6-5(3-4)7(9)11-10-6;8-6-1-2-7-5(3-6)4-9-10-7/h1-3H,(H,10,11);1-4H,(H,9,10).
What are the key properties of 5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole?
5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole has a molecular weight of 412.06 g/mol, XLogP of 4.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole is sourced from PubChem (CID 158761275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).