5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine

C15H14F2N2 — CID 118707601

IUPAC5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(/C=C/c2c(F)cccc2F)cn1
InChIInChI=1S/C15H14F2N2/c1-2-18-15-9-7-11(10-19-15)6-8-12-13(16)4-3-5-14(12)17/h3-10H,2H2,1H3,(H,18,19)/b8-6+
InChIKeyLBZDCTJGRZPZBY-SOFGYWHQSA-N
MW260.29 g/mol
LogP3.96
Rot. Bonds4

About 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine

5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine (PubChem CID 118707601) has the molecular formula C15H14F2N2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine
PubChem CID118707601
Molecular FormulaC15H14F2N2
Molecular Weight260.29 g/mol
Exact Mass260.11
IUPAC Name5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(/C=C/c2c(F)cccc2F)cn1
InChIInChI=1S/C15H14F2N2/c1-2-18-15-9-7-11(10-19-15)6-8-12-13(16)4-3-5-14(12)17/h3-10H,2H2,1H3,(H,18,19)/b8-6+
InChIKeyLBZDCTJGRZPZBY-SOFGYWHQSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine (CID 118707601) is 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine is CCNc1ccc(/C=C/c2c(F)cccc2F)cn1.
What is the InChIKey of 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine?
The InChIKey is LBZDCTJGRZPZBY-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H14F2N2/c1-2-18-15-9-7-11(10-19-15)6-8-12-13(16)4-3-5-14(12)17/h3-10H,2H2,1H3,(H,18,19)/b8-6+.
What are the key properties of 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine?
5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine has a molecular weight of 260.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 118707601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).