6-fluoro-1,3-dimethylindazole

C9H9FN2 — CID 59514053

IUPAC6-fluoro-1,3-dimethylindazole
SMILESCc1nn(C)c2cc(F)ccc12
InChIInChI=1S/C9H9FN2/c1-6-8-4-3-7(10)5-9(8)12(2)11-6/h3-5H,1-2H3
InChIKeyKOYAFVDAEUFPNJ-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.02
Rot. Bonds

About 6-fluoro-1,3-dimethylindazole

6-fluoro-1,3-dimethylindazole (PubChem CID 59514053) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 6-fluoro-1,3-dimethylindazole.

Molecular Properties

Compound Name6-fluoro-1,3-dimethylindazole
PubChem CID59514053
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name6-fluoro-1,3-dimethylindazole
SMILESCc1nn(C)c2cc(F)ccc12
InChIInChI=1S/C9H9FN2/c1-6-8-4-3-7(10)5-9(8)12(2)11-6/h3-5H,1-2H3
InChIKeyKOYAFVDAEUFPNJ-UHFFFAOYSA-N
XLogP2.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-dimethylindazole?
The IUPAC name of 6-fluoro-1,3-dimethylindazole (CID 59514053) is 6-fluoro-1,3-dimethylindazole.
What is the SMILES notation for 6-fluoro-1,3-dimethylindazole?
The canonical SMILES for 6-fluoro-1,3-dimethylindazole is Cc1nn(C)c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1,3-dimethylindazole?
The InChIKey is KOYAFVDAEUFPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c1-6-8-4-3-7(10)5-9(8)12(2)11-6/h3-5H,1-2H3.
What are the key properties of 6-fluoro-1,3-dimethylindazole?
6-fluoro-1,3-dimethylindazole has a molecular weight of 164.18 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3-dimethylindazole is sourced from PubChem (CID 59514053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).