4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole

C12H9FN2O — CID 168526656

IUPAC4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole
SMILESCc1[nH]nc2cc(-c3ccco3)cc(F)c12
InChIInChI=1S/C12H9FN2O/c1-7-12-9(13)5-8(6-10(12)15-14-7)11-3-2-4-16-11/h2-6H,1H3,(H,14,15)
InChIKeyIAMVGFPQIHUAMQ-UHFFFAOYSA-N
MW216.22 g/mol
LogP3.27
Rot. Bonds1

About 4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole

4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole (PubChem CID 168526656) has the molecular formula C12H9FN2O and a molecular weight of 216.22 g/mol. Its IUPAC name is 4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole.

Molecular Properties

Compound Name4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole
PubChem CID168526656
Molecular FormulaC12H9FN2O
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole
SMILESCc1[nH]nc2cc(-c3ccco3)cc(F)c12
InChIInChI=1S/C12H9FN2O/c1-7-12-9(13)5-8(6-10(12)15-14-7)11-3-2-4-16-11/h2-6H,1H3,(H,14,15)
InChIKeyIAMVGFPQIHUAMQ-UHFFFAOYSA-N
XLogP3.27
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole?
The IUPAC name of 4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole (CID 168526656) is 4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole.
What is the SMILES notation for 4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole?
The canonical SMILES for 4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole is Cc1[nH]nc2cc(-c3ccco3)cc(F)c12.
What is the InChIKey of 4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole?
The InChIKey is IAMVGFPQIHUAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c1-7-12-9(13)5-8(6-10(12)15-14-7)11-3-2-4-16-11/h2-6H,1H3,(H,14,15).
What are the key properties of 4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole?
4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole has a molecular weight of 216.22 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole is sourced from PubChem (CID 168526656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).