4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline

C15H11FN4O2 — CID 129198310

IUPAC4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline
SMILESC=C(Nc1ccc(F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H11FN4O2/c1-9(17-11-4-2-10(16)3-5-11)15-13-8-12(20(21)22)6-7-14(13)18-19-15/h2-8,17H,1H2,(H,18,19)
InChIKeyMOEZNKZJRXEGCY-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.69
Rot. Bonds4

About 4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline

4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline (PubChem CID 129198310) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline
PubChem CID129198310
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline
SMILESC=C(Nc1ccc(F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H11FN4O2/c1-9(17-11-4-2-10(16)3-5-11)15-13-8-12(20(21)22)6-7-14(13)18-19-15/h2-8,17H,1H2,(H,18,19)
InChIKeyMOEZNKZJRXEGCY-UHFFFAOYSA-N
XLogP3.69
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.69
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline?
The IUPAC name of 4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline (CID 129198310) is 4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline.
What is the SMILES notation for 4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline?
The canonical SMILES for 4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline is C=C(Nc1ccc(F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline?
The InChIKey is MOEZNKZJRXEGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c1-9(17-11-4-2-10(16)3-5-11)15-13-8-12(20(21)22)6-7-14(13)18-19-15/h2-8,17H,1H2,(H,18,19).
What are the key properties of 4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline?
4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline has a molecular weight of 298.28 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(5-nitro-1H-indazol-3-yl)ethenyl]aniline is sourced from PubChem (CID 129198310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).