3,4-dibromo-6-fluoro-7-methyl-2H-indazole

C8H5Br2FN2 — CID 171662324

IUPAC3,4-dibromo-6-fluoro-7-methyl-2H-indazole
SMILESCc1c(F)cc(Br)c2c(Br)[nH]nc12
InChIInChI=1S/C8H5Br2FN2/c1-3-5(11)2-4(9)6-7(3)12-13-8(6)10/h2H,1H3,(H,12,13)
InChIKeyWRAYQIZDSQKHQO-UHFFFAOYSA-N
MW307.95 g/mol
LogP3.54
Rot. Bonds

About 3,4-dibromo-6-fluoro-7-methyl-2H-indazole

3,4-dibromo-6-fluoro-7-methyl-2H-indazole (PubChem CID 171662324) has the molecular formula C8H5Br2FN2 and a molecular weight of 307.95 g/mol. Its IUPAC name is 3,4-dibromo-6-fluoro-7-methyl-2H-indazole.

Molecular Properties

Compound Name3,4-dibromo-6-fluoro-7-methyl-2H-indazole
PubChem CID171662324
Molecular FormulaC8H5Br2FN2
Molecular Weight307.95 g/mol
Exact Mass305.88
IUPAC Name3,4-dibromo-6-fluoro-7-methyl-2H-indazole
SMILESCc1c(F)cc(Br)c2c(Br)[nH]nc12
InChIInChI=1S/C8H5Br2FN2/c1-3-5(11)2-4(9)6-7(3)12-13-8(6)10/h2H,1H3,(H,12,13)
InChIKeyWRAYQIZDSQKHQO-UHFFFAOYSA-N
XLogP3.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.95
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-6-fluoro-7-methyl-2H-indazole
CID 114589294
4-bromo-3,7-dichloro-6-fluoro-2H-indazole
CID 154728676
3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole
CID 171662451
4-bromo-7-fluoro-3-methyl-2H-indazole
CID 118989920
3,4-dibromo-7-methoxy-2H-indazole
CID 114589251
3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine
CID 172907557
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
5-bromo-4,7-difluoro-2H-benzotriazole
CID 162757679
3-bromo-4-fluoro-6-nitro-2H-indazole
CID 24728289
1-bromo-4,5-difluoro-3-methyl-2-(trifluoromethyl)benzene
CID 170917204
4-bromo-2,6-difluoro-3-methylaniline
CID 57493956
2-bromo-4-fluoro-5-methylphenol
CID 84672831

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-6-fluoro-7-methyl-2H-indazole?
The IUPAC name of 3,4-dibromo-6-fluoro-7-methyl-2H-indazole (CID 171662324) is 3,4-dibromo-6-fluoro-7-methyl-2H-indazole.
What is the SMILES notation for 3,4-dibromo-6-fluoro-7-methyl-2H-indazole?
The canonical SMILES for 3,4-dibromo-6-fluoro-7-methyl-2H-indazole is Cc1c(F)cc(Br)c2c(Br)[nH]nc12.
What is the InChIKey of 3,4-dibromo-6-fluoro-7-methyl-2H-indazole?
The InChIKey is WRAYQIZDSQKHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2FN2/c1-3-5(11)2-4(9)6-7(3)12-13-8(6)10/h2H,1H3,(H,12,13).
What are the key properties of 3,4-dibromo-6-fluoro-7-methyl-2H-indazole?
3,4-dibromo-6-fluoro-7-methyl-2H-indazole has a molecular weight of 307.95 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-6-fluoro-7-methyl-2H-indazole is sourced from PubChem (CID 171662324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).