methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate

C16H10FN3O2 — CID 58138895

IUPACmethyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate
SMILESCOC(=O)c1cc(C#N)cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C16H10FN3O2/c1-22-16(21)13-6-10(8-18)7-15-14(13)9-19-20(15)12-4-2-11(17)3-5-12/h2-7,9H,1H3
InChIKeyJNEFFIKKSQLLQJ-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.82
Rot. Bonds2

About methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate

methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate (PubChem CID 58138895) has the molecular formula C16H10FN3O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate
PubChem CID58138895
Molecular FormulaC16H10FN3O2
Molecular Weight295.27 g/mol
Exact Mass295.08
IUPAC Namemethyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate
SMILESCOC(=O)c1cc(C#N)cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C16H10FN3O2/c1-22-16(21)13-6-10(8-18)7-15-14(13)9-19-20(15)12-4-2-11(17)3-5-12/h2-7,9H,1H3
InChIKeyJNEFFIKKSQLLQJ-UHFFFAOYSA-N
XLogP2.82
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate 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 methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate?
The IUPAC name of methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate (CID 58138895) is methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate.
What is the SMILES notation for methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate?
The canonical SMILES for methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate is COC(=O)c1cc(C#N)cc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate?
The InChIKey is JNEFFIKKSQLLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2/c1-22-16(21)13-6-10(8-18)7-15-14(13)9-19-20(15)12-4-2-11(17)3-5-12/h2-7,9H,1H3.
What are the key properties of methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate?
methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate has a molecular weight of 295.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylate is sourced from PubChem (CID 58138895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).