ethane;6-fluoro-2-methylindazole

C10H13FN2 — CID 155591197

IUPACethane;6-fluoro-2-methylindazole
SMILESCC.Cn1cc2ccc(F)cc2n1
InChIInChI=1S/C8H7FN2.C2H6/c1-11-5-6-2-3-7(9)4-8(6)10-11;1-2/h2-5H,1H3;1-2H3
InChIKeyJQSJXUJXVZXGOM-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.74
Rot. Bonds

About ethane;6-fluoro-2-methylindazole

ethane;6-fluoro-2-methylindazole (PubChem CID 155591197) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is ethane;6-fluoro-2-methylindazole.

Molecular Properties

Compound Nameethane;6-fluoro-2-methylindazole
PubChem CID155591197
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Nameethane;6-fluoro-2-methylindazole
SMILESCC.Cn1cc2ccc(F)cc2n1
InChIInChI=1S/C8H7FN2.C2H6/c1-11-5-6-2-3-7(9)4-8(6)10-11;1-2/h2-5H,1H3;1-2H3
InChIKeyJQSJXUJXVZXGOM-UHFFFAOYSA-N
XLogP2.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-2-methylindazole?
The IUPAC name of ethane;6-fluoro-2-methylindazole (CID 155591197) is ethane;6-fluoro-2-methylindazole.
What is the SMILES notation for ethane;6-fluoro-2-methylindazole?
The canonical SMILES for ethane;6-fluoro-2-methylindazole is CC.Cn1cc2ccc(F)cc2n1.
What is the InChIKey of ethane;6-fluoro-2-methylindazole?
The InChIKey is JQSJXUJXVZXGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2.C2H6/c1-11-5-6-2-3-7(9)4-8(6)10-11;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;6-fluoro-2-methylindazole?
ethane;6-fluoro-2-methylindazole has a molecular weight of 180.23 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-2-methylindazole is sourced from PubChem (CID 155591197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).