5-bromo-4-fluoro-2,3-dihydro-1H-indazole

C7H6BrFN2 — CID 90179342

IUPAC5-bromo-4-fluoro-2,3-dihydro-1H-indazole
SMILESFc1c(Br)ccc2c1CNN2
InChIInChI=1S/C7H6BrFN2/c8-5-1-2-6-4(7(5)9)3-10-11-6/h1-2,10-11H,3H2
InChIKeyMMXAWYFIBZLXKX-UHFFFAOYSA-N
MW217.04 g/mol
LogP2.02
Rot. Bonds

About 5-bromo-4-fluoro-2,3-dihydro-1H-indazole

5-bromo-4-fluoro-2,3-dihydro-1H-indazole (PubChem CID 90179342) has the molecular formula C7H6BrFN2 and a molecular weight of 217.04 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2,3-dihydro-1H-indazole.

Molecular Properties

Compound Name5-bromo-4-fluoro-2,3-dihydro-1H-indazole
PubChem CID90179342
Molecular FormulaC7H6BrFN2
Molecular Weight217.04 g/mol
Exact Mass215.97
IUPAC Name5-bromo-4-fluoro-2,3-dihydro-1H-indazole
SMILESFc1c(Br)ccc2c1CNN2
InChIInChI=1S/C7H6BrFN2/c8-5-1-2-6-4(7(5)9)3-10-11-6/h1-2,10-11H,3H2
InChIKeyMMXAWYFIBZLXKX-UHFFFAOYSA-N
XLogP2.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.04
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2,3-dihydro-1H-indazole?
The IUPAC name of 5-bromo-4-fluoro-2,3-dihydro-1H-indazole (CID 90179342) is 5-bromo-4-fluoro-2,3-dihydro-1H-indazole.
What is the SMILES notation for 5-bromo-4-fluoro-2,3-dihydro-1H-indazole?
The canonical SMILES for 5-bromo-4-fluoro-2,3-dihydro-1H-indazole is Fc1c(Br)ccc2c1CNN2.
What is the InChIKey of 5-bromo-4-fluoro-2,3-dihydro-1H-indazole?
The InChIKey is MMXAWYFIBZLXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2/c8-5-1-2-6-4(7(5)9)3-10-11-6/h1-2,10-11H,3H2.
What are the key properties of 5-bromo-4-fluoro-2,3-dihydro-1H-indazole?
5-bromo-4-fluoro-2,3-dihydro-1H-indazole has a molecular weight of 217.04 g/mol, XLogP of 2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2,3-dihydro-1H-indazole is sourced from PubChem (CID 90179342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).