3-chloro-5-fluoro-1-(2-methylpropyl)indazole

C11H12ClFN2 — CID 105484197

IUPAC3-chloro-5-fluoro-1-(2-methylpropyl)indazole
SMILESCC(C)Cn1nc(Cl)c2cc(F)ccc21
InChIInChI=1S/C11H12ClFN2/c1-7(2)6-15-10-4-3-8(13)5-9(10)11(12)14-15/h3-5,7H,6H2,1-2H3
InChIKeyRXOSMUDXIIEJRT-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.48
Rot. Bonds2

About 3-chloro-5-fluoro-1-(2-methylpropyl)indazole

3-chloro-5-fluoro-1-(2-methylpropyl)indazole (PubChem CID 105484197) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is 3-chloro-5-fluoro-1-(2-methylpropyl)indazole.

Molecular Properties

Compound Name3-chloro-5-fluoro-1-(2-methylpropyl)indazole
PubChem CID105484197
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name3-chloro-5-fluoro-1-(2-methylpropyl)indazole
SMILESCC(C)Cn1nc(Cl)c2cc(F)ccc21
InChIInChI=1S/C11H12ClFN2/c1-7(2)6-15-10-4-3-8(13)5-9(10)11(12)14-15/h3-5,7H,6H2,1-2H3
InChIKeyRXOSMUDXIIEJRT-UHFFFAOYSA-N
XLogP3.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-1-(2-methylpropyl)indazole?
The IUPAC name of 3-chloro-5-fluoro-1-(2-methylpropyl)indazole (CID 105484197) is 3-chloro-5-fluoro-1-(2-methylpropyl)indazole.
What is the SMILES notation for 3-chloro-5-fluoro-1-(2-methylpropyl)indazole?
The canonical SMILES for 3-chloro-5-fluoro-1-(2-methylpropyl)indazole is CC(C)Cn1nc(Cl)c2cc(F)ccc21.
What is the InChIKey of 3-chloro-5-fluoro-1-(2-methylpropyl)indazole?
The InChIKey is RXOSMUDXIIEJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2/c1-7(2)6-15-10-4-3-8(13)5-9(10)11(12)14-15/h3-5,7H,6H2,1-2H3.
What are the key properties of 3-chloro-5-fluoro-1-(2-methylpropyl)indazole?
3-chloro-5-fluoro-1-(2-methylpropyl)indazole has a molecular weight of 226.68 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-1-(2-methylpropyl)indazole is sourced from PubChem (CID 105484197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).