3-ethyl-5-fluoro-7-methyl-2H-indazole

C10H11FN2 — CID 89021133

IUPAC3-ethyl-5-fluoro-7-methyl-2H-indazole
SMILESCCc1[nH]nc2c(C)cc(F)cc12
InChIInChI=1S/C10H11FN2/c1-3-9-8-5-7(11)4-6(2)10(8)13-12-9/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyCJSDXYZODQRJOK-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.57
Rot. Bonds1

About 3-ethyl-5-fluoro-7-methyl-2H-indazole

3-ethyl-5-fluoro-7-methyl-2H-indazole (PubChem CID 89021133) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-7-methyl-2H-indazole.

Molecular Properties

Compound Name3-ethyl-5-fluoro-7-methyl-2H-indazole
PubChem CID89021133
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name3-ethyl-5-fluoro-7-methyl-2H-indazole
SMILESCCc1[nH]nc2c(C)cc(F)cc12
InChIInChI=1S/C10H11FN2/c1-3-9-8-5-7(11)4-6(2)10(8)13-12-9/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyCJSDXYZODQRJOK-UHFFFAOYSA-N
XLogP2.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-7-methyl-2H-indazole?
The IUPAC name of 3-ethyl-5-fluoro-7-methyl-2H-indazole (CID 89021133) is 3-ethyl-5-fluoro-7-methyl-2H-indazole.
What is the SMILES notation for 3-ethyl-5-fluoro-7-methyl-2H-indazole?
The canonical SMILES for 3-ethyl-5-fluoro-7-methyl-2H-indazole is CCc1[nH]nc2c(C)cc(F)cc12.
What is the InChIKey of 3-ethyl-5-fluoro-7-methyl-2H-indazole?
The InChIKey is CJSDXYZODQRJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-3-9-8-5-7(11)4-6(2)10(8)13-12-9/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-ethyl-5-fluoro-7-methyl-2H-indazole?
3-ethyl-5-fluoro-7-methyl-2H-indazole has a molecular weight of 178.21 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-7-methyl-2H-indazole is sourced from PubChem (CID 89021133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).