5-bromo-4-fluoro-1H-indazole

C7H4BrFN2 — CID 45480393

IUPAC5-bromo-4-fluoro-1H-indazole
SMILESFc1c(Br)ccc2[nH]ncc12
InChIInChI=1S/C7H4BrFN2/c8-5-1-2-6-4(7(5)9)3-10-11-6/h1-3H,(H,10,11)
InChIKeyYJOQUFUSNSCGHN-UHFFFAOYSA-N
MW215.03 g/mol
LogP2.46
Rot. Bonds

About 5-bromo-4-fluoro-1H-indazole

5-bromo-4-fluoro-1H-indazole (PubChem CID 45480393) has the molecular formula C7H4BrFN2 and a molecular weight of 215.03 g/mol. Its IUPAC name is 5-bromo-4-fluoro-1H-indazole.

Molecular Properties

Compound Name5-bromo-4-fluoro-1H-indazole
PubChem CID45480393
Molecular FormulaC7H4BrFN2
Molecular Weight215.03 g/mol
Exact Mass213.95
IUPAC Name5-bromo-4-fluoro-1H-indazole
SMILESFc1c(Br)ccc2[nH]ncc12
InChIInChI=1S/C7H4BrFN2/c8-5-1-2-6-4(7(5)9)3-10-11-6/h1-3H,(H,10,11)
InChIKeyYJOQUFUSNSCGHN-UHFFFAOYSA-N
XLogP2.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.03
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-1H-indazole?
The IUPAC name of 5-bromo-4-fluoro-1H-indazole (CID 45480393) is 5-bromo-4-fluoro-1H-indazole.
What is the SMILES notation for 5-bromo-4-fluoro-1H-indazole?
The canonical SMILES for 5-bromo-4-fluoro-1H-indazole is Fc1c(Br)ccc2[nH]ncc12.
What is the InChIKey of 5-bromo-4-fluoro-1H-indazole?
The InChIKey is YJOQUFUSNSCGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2/c8-5-1-2-6-4(7(5)9)3-10-11-6/h1-3H,(H,10,11).
What are the key properties of 5-bromo-4-fluoro-1H-indazole?
5-bromo-4-fluoro-1H-indazole has a molecular weight of 215.03 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-1H-indazole is sourced from PubChem (CID 45480393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).