5-bromo-1-fluoroindazole

C7H4BrFN2 — CID 90220798

IUPAC5-bromo-1-fluoroindazole
SMILESFn1ncc2cc(Br)ccc21
InChIInChI=1S/C7H4BrFN2/c8-6-1-2-7-5(3-6)4-10-11(7)9/h1-4H
InChIKeyCCIZZSCISFKVOI-UHFFFAOYSA-N
MW215.03 g/mol
LogP2.53
Rot. Bonds

About 5-bromo-1-fluoroindazole

5-bromo-1-fluoroindazole (PubChem CID 90220798) has the molecular formula C7H4BrFN2 and a molecular weight of 215.03 g/mol. Its IUPAC name is 5-bromo-1-fluoroindazole.

Molecular Properties

Compound Name5-bromo-1-fluoroindazole
PubChem CID90220798
Molecular FormulaC7H4BrFN2
Molecular Weight215.03 g/mol
Exact Mass213.95
IUPAC Name5-bromo-1-fluoroindazole
SMILESFn1ncc2cc(Br)ccc21
InChIInChI=1S/C7H4BrFN2/c8-6-1-2-7-5(3-6)4-10-11(7)9/h1-4H
InChIKeyCCIZZSCISFKVOI-UHFFFAOYSA-N
XLogP2.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.03
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-fluoroindazole?
The IUPAC name of 5-bromo-1-fluoroindazole (CID 90220798) is 5-bromo-1-fluoroindazole.
What is the SMILES notation for 5-bromo-1-fluoroindazole?
The canonical SMILES for 5-bromo-1-fluoroindazole is Fn1ncc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-fluoroindazole?
The InChIKey is CCIZZSCISFKVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2/c8-6-1-2-7-5(3-6)4-10-11(7)9/h1-4H.
What are the key properties of 5-bromo-1-fluoroindazole?
5-bromo-1-fluoroindazole has a molecular weight of 215.03 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-fluoroindazole is sourced from PubChem (CID 90220798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).