6-ethyl-5-fluoro-1-methylindazole

C10H11FN2 — CID 89250991

IUPAC6-ethyl-5-fluoro-1-methylindazole
SMILESCCc1cc2c(cnn2C)cc1F
InChIInChI=1S/C10H11FN2/c1-3-7-5-10-8(4-9(7)11)6-12-13(10)2/h4-6H,3H2,1-2H3
InChIKeyAPVFUUSVXGPAHI-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.27
Rot. Bonds1

About 6-ethyl-5-fluoro-1-methylindazole

6-ethyl-5-fluoro-1-methylindazole (PubChem CID 89250991) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-1-methylindazole.

Molecular Properties

Compound Name6-ethyl-5-fluoro-1-methylindazole
PubChem CID89250991
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name6-ethyl-5-fluoro-1-methylindazole
SMILESCCc1cc2c(cnn2C)cc1F
InChIInChI=1S/C10H11FN2/c1-3-7-5-10-8(4-9(7)11)6-12-13(10)2/h4-6H,3H2,1-2H3
InChIKeyAPVFUUSVXGPAHI-UHFFFAOYSA-N
XLogP2.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-1-methylindazole?
The IUPAC name of 6-ethyl-5-fluoro-1-methylindazole (CID 89250991) is 6-ethyl-5-fluoro-1-methylindazole.
What is the SMILES notation for 6-ethyl-5-fluoro-1-methylindazole?
The canonical SMILES for 6-ethyl-5-fluoro-1-methylindazole is CCc1cc2c(cnn2C)cc1F.
What is the InChIKey of 6-ethyl-5-fluoro-1-methylindazole?
The InChIKey is APVFUUSVXGPAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-3-7-5-10-8(4-9(7)11)6-12-13(10)2/h4-6H,3H2,1-2H3.
What are the key properties of 6-ethyl-5-fluoro-1-methylindazole?
6-ethyl-5-fluoro-1-methylindazole has a molecular weight of 178.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-1-methylindazole is sourced from PubChem (CID 89250991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).