6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole

C16H11F2N3O2 — CID 59797177

IUPAC6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole
SMILESCn1nc(/C=C/c2ccc(F)cc2)c2cc([N+](=O)[O-])c(F)cc21
InChIInChI=1S/C16H11F2N3O2/c1-20-15-9-13(18)16(21(22)23)8-12(15)14(19-20)7-4-10-2-5-11(17)6-3-10/h2-9H,1H3/b7-4+
InChIKeyFIMJDAIPOHOPPK-QPJJXVBHSA-N
MW315.28 g/mol
LogP3.93
Rot. Bonds3

About 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole

6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole (PubChem CID 59797177) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole.

Molecular Properties

Compound Name6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole
PubChem CID59797177
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC Name6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole
SMILESCn1nc(/C=C/c2ccc(F)cc2)c2cc([N+](=O)[O-])c(F)cc21
InChIInChI=1S/C16H11F2N3O2/c1-20-15-9-13(18)16(21(22)23)8-12(15)14(19-20)7-4-10-2-5-11(17)6-3-10/h2-9H,1H3/b7-4+
InChIKeyFIMJDAIPOHOPPK-QPJJXVBHSA-N
XLogP3.93
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole 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 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole?
The IUPAC name of 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole (CID 59797177) is 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole.
What is the SMILES notation for 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole?
The canonical SMILES for 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole is Cn1nc(/C=C/c2ccc(F)cc2)c2cc([N+](=O)[O-])c(F)cc21.
What is the InChIKey of 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole?
The InChIKey is FIMJDAIPOHOPPK-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c1-20-15-9-13(18)16(21(22)23)8-12(15)14(19-20)7-4-10-2-5-11(17)6-3-10/h2-9H,1H3/b7-4+.
What are the key properties of 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole?
6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole has a molecular weight of 315.28 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole is sourced from PubChem (CID 59797177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).