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

C14H12F2N2 — CID 118707600

IUPAC5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(/C=C/c2c(F)cccc2F)cn1
InChIInChI=1S/C14H12F2N2/c1-17-14-8-6-10(9-18-14)5-7-11-12(15)3-2-4-13(11)16/h2-9H,1H3,(H,17,18)/b7-5+
InChIKeyGTUIFCYUYIHSEQ-FNORWQNLSA-N
MW246.26 g/mol
LogP3.57
Rot. Bonds3

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

5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-methylpyridin-2-amine (PubChem CID 118707600) has the molecular formula C14H12F2N2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-methylpyridin-2-amine
PubChem CID118707600
Molecular FormulaC14H12F2N2
Molecular Weight246.26 g/mol
Exact Mass246.10
IUPAC Name5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(/C=C/c2c(F)cccc2F)cn1
InChIInChI=1S/C14H12F2N2/c1-17-14-8-6-10(9-18-14)5-7-11-12(15)3-2-4-13(11)16/h2-9H,1H3,(H,17,18)/b7-5+
InChIKeyGTUIFCYUYIHSEQ-FNORWQNLSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.57
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-methylpyridin-2-amine?
The IUPAC name of 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-methylpyridin-2-amine (CID 118707600) is 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-methylpyridin-2-amine is CNc1ccc(/C=C/c2c(F)cccc2F)cn1.
What is the InChIKey of 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-methylpyridin-2-amine?
The InChIKey is GTUIFCYUYIHSEQ-FNORWQNLSA-N. The full InChI is InChI=1S/C14H12F2N2/c1-17-14-8-6-10(9-18-14)5-7-11-12(15)3-2-4-13(11)16/h2-9H,1H3,(H,17,18)/b7-5+.
What are the key properties of 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-methylpyridin-2-amine?
5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-methylpyridin-2-amine has a molecular weight of 246.26 g/mol, XLogP of 3.57, 3 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-methylpyridin-2-amine is sourced from PubChem (CID 118707600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).