4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline

C13H11FN2 — CID 67482043

IUPAC4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline
SMILESNc1ccc(C=Cc2ccc(F)nc2)cc1
InChIInChI=1S/C13H11FN2/c14-13-8-5-11(9-16-13)2-1-10-3-6-12(15)7-4-10/h1-9H,15H2
InChIKeyVVIYERYLWBHRFX-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.97
Rot. Bonds2

About 4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline

4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline (PubChem CID 67482043) has the molecular formula C13H11FN2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline
PubChem CID67482043
Molecular FormulaC13H11FN2
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline
SMILESNc1ccc(C=Cc2ccc(F)nc2)cc1
InChIInChI=1S/C13H11FN2/c14-13-8-5-11(9-16-13)2-1-10-3-6-12(15)7-4-10/h1-9H,15H2
InChIKeyVVIYERYLWBHRFX-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline?
The IUPAC name of 4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline (CID 67482043) is 4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline.
What is the SMILES notation for 4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline?
The canonical SMILES for 4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline is Nc1ccc(C=Cc2ccc(F)nc2)cc1.
What is the InChIKey of 4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline?
The InChIKey is VVIYERYLWBHRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2/c14-13-8-5-11(9-16-13)2-1-10-3-6-12(15)7-4-10/h1-9H,15H2.
What are the key properties of 4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline?
4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline has a molecular weight of 214.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline is sourced from PubChem (CID 67482043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).