7-fluoro-3,6-di(propan-2-yl)-2H-indazole

C13H17FN2 — CID 165010625

IUPAC7-fluoro-3,6-di(propan-2-yl)-2H-indazole
SMILESCC(C)c1ccc2c(C(C)C)[nH]nc2c1F
InChIInChI=1S/C13H17FN2/c1-7(2)9-5-6-10-12(8(3)4)15-16-13(10)11(9)14/h5-8H,1-4H3,(H,15,16)
InChIKeyZVHIKMJLQYHSEG-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.95
Rot. Bonds2

About 7-fluoro-3,6-di(propan-2-yl)-2H-indazole

7-fluoro-3,6-di(propan-2-yl)-2H-indazole (PubChem CID 165010625) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 7-fluoro-3,6-di(propan-2-yl)-2H-indazole.

Molecular Properties

Compound Name7-fluoro-3,6-di(propan-2-yl)-2H-indazole
PubChem CID165010625
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name7-fluoro-3,6-di(propan-2-yl)-2H-indazole
SMILESCC(C)c1ccc2c(C(C)C)[nH]nc2c1F
InChIInChI=1S/C13H17FN2/c1-7(2)9-5-6-10-12(8(3)4)15-16-13(10)11(9)14/h5-8H,1-4H3,(H,15,16)
InChIKeyZVHIKMJLQYHSEG-UHFFFAOYSA-N
XLogP3.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,6-di(propan-2-yl)-2H-indazole?
The IUPAC name of 7-fluoro-3,6-di(propan-2-yl)-2H-indazole (CID 165010625) is 7-fluoro-3,6-di(propan-2-yl)-2H-indazole.
What is the SMILES notation for 7-fluoro-3,6-di(propan-2-yl)-2H-indazole?
The canonical SMILES for 7-fluoro-3,6-di(propan-2-yl)-2H-indazole is CC(C)c1ccc2c(C(C)C)[nH]nc2c1F.
What is the InChIKey of 7-fluoro-3,6-di(propan-2-yl)-2H-indazole?
The InChIKey is ZVHIKMJLQYHSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-7(2)9-5-6-10-12(8(3)4)15-16-13(10)11(9)14/h5-8H,1-4H3,(H,15,16).
What are the key properties of 7-fluoro-3,6-di(propan-2-yl)-2H-indazole?
7-fluoro-3,6-di(propan-2-yl)-2H-indazole has a molecular weight of 220.29 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,6-di(propan-2-yl)-2H-indazole is sourced from PubChem (CID 165010625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).