3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole

C15H11FN4O2 — CID 67259856

IUPAC3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole
SMILESC=Cc1nn(Cc2ccc(F)cn2)c2cccc([N+](=O)[O-])c12
InChIInChI=1S/C15H11FN4O2/c1-2-12-15-13(4-3-5-14(15)20(21)22)19(18-12)9-11-7-6-10(16)8-17-11/h2-8H,1,9H2
InChIKeyTYQWJEBXVCYOQU-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.17
Rot. Bonds4

About 3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole

3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole (PubChem CID 67259856) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole.

Molecular Properties

Compound Name3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole
PubChem CID67259856
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole
SMILESC=Cc1nn(Cc2ccc(F)cn2)c2cccc([N+](=O)[O-])c12
InChIInChI=1S/C15H11FN4O2/c1-2-12-15-13(4-3-5-14(15)20(21)22)19(18-12)9-11-7-6-10(16)8-17-11/h2-8H,1,9H2
InChIKeyTYQWJEBXVCYOQU-UHFFFAOYSA-N
XLogP3.17
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-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 3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole?
The IUPAC name of 3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole (CID 67259856) is 3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole.
What is the SMILES notation for 3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole?
The canonical SMILES for 3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole is C=Cc1nn(Cc2ccc(F)cn2)c2cccc([N+](=O)[O-])c12.
What is the InChIKey of 3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole?
The InChIKey is TYQWJEBXVCYOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c1-2-12-15-13(4-3-5-14(15)20(21)22)19(18-12)9-11-7-6-10(16)8-17-11/h2-8H,1,9H2.
What are the key properties of 3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole?
3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole has a molecular weight of 298.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-[(5-fluoro-2-pyridinyl)methyl]-4-nitroindazole is sourced from PubChem (CID 67259856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).