3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole

C7H8BrFN2 — CID 105473436

IUPAC3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole
SMILESFC1CCCc2[nH]nc(Br)c21
InChIInChI=1S/C7H8BrFN2/c8-7-6-4(9)2-1-3-5(6)10-11-7/h4H,1-3H2,(H,10,11)
InChIKeyRBJSHPUGNYMKJL-UHFFFAOYSA-N
MW219.06 g/mol
LogP2.52
Rot. Bonds

About 3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole

3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 105473436) has the molecular formula C7H8BrFN2 and a molecular weight of 219.06 g/mol. Its IUPAC name is 3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole
PubChem CID105473436
Molecular FormulaC7H8BrFN2
Molecular Weight219.06 g/mol
Exact Mass217.99
IUPAC Name3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole
SMILESFC1CCCc2[nH]nc(Br)c21
InChIInChI=1S/C7H8BrFN2/c8-7-6-4(9)2-1-3-5(6)10-11-7/h4H,1-3H2,(H,10,11)
InChIKeyRBJSHPUGNYMKJL-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2802863
3-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 312127
3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 19616647
3-Undecafluoropentyl-4,5,6,7-tetrahydro-1H-indazole
CID 10000444
3-Heptafluoropropyl-4,5,6,7-tetrahydro-1H-indazole
CID 10469455
3-ethyl-4,5,6,7-tetrahydro-2H-indazole
CID 89205948
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-4,5,6,7-tetrahydro-1H-indazole
CID 10028515
3-(1,1,2,2-tetrafluoroethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031294
3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031295
3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 66874840
3-(fluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 89019623
3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole
CID 90385298

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole (CID 105473436) is 3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole is FC1CCCc2[nH]nc(Br)c21.
What is the InChIKey of 3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is RBJSHPUGNYMKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2/c8-7-6-4(9)2-1-3-5(6)10-11-7/h4H,1-3H2,(H,10,11).
What are the key properties of 3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole?
3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 219.06 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 105473436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).