3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile

C15H10FN3O — CID 22260780

IUPAC3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C#N
InChIInChI=1S/C15H10FN3O/c1-20-14-7-13-12(6-10(14)8-17)15(19-18-13)9-3-2-4-11(16)5-9/h2-7H,1H3,(H,18,19)
InChIKeyGNCUGLFCQAPVCP-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.25
Rot. Bonds2

About 3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile

3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile (PubChem CID 22260780) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile
PubChem CID22260780
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C#N
InChIInChI=1S/C15H10FN3O/c1-20-14-7-13-12(6-10(14)8-17)15(19-18-13)9-3-2-4-11(16)5-9/h2-7H,1H3,(H,18,19)
InChIKeyGNCUGLFCQAPVCP-UHFFFAOYSA-N
XLogP3.25
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile?
The IUPAC name of 3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile (CID 22260780) is 3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile.
What is the SMILES notation for 3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile?
The canonical SMILES for 3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile is COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C#N.
What is the InChIKey of 3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile?
The InChIKey is GNCUGLFCQAPVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O/c1-20-14-7-13-12(6-10(14)8-17)15(19-18-13)9-3-2-4-11(16)5-9/h2-7H,1H3,(H,18,19).
What are the key properties of 3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile?
3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile has a molecular weight of 267.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carbonitrile is sourced from PubChem (CID 22260780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).