2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline

C17H16F2N2 — CID 126596217

IUPAC2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline
SMILESC=C(C)N(C(=C)c1cncc(C)c1)c1c(F)cccc1F
InChIInChI=1S/C17H16F2N2/c1-11(2)21(17-15(18)6-5-7-16(17)19)13(4)14-8-12(3)9-20-10-14/h5-10H,1,4H2,2-3H3
InChIKeyPIDXUBUOZYMEHD-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.68
Rot. Bonds4

About 2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline

2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline (PubChem CID 126596217) has the molecular formula C17H16F2N2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline
PubChem CID126596217
Molecular FormulaC17H16F2N2
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline
SMILESC=C(C)N(C(=C)c1cncc(C)c1)c1c(F)cccc1F
InChIInChI=1S/C17H16F2N2/c1-11(2)21(17-15(18)6-5-7-16(17)19)13(4)14-8-12(3)9-20-10-14/h5-10H,1,4H2,2-3H3
InChIKeyPIDXUBUOZYMEHD-UHFFFAOYSA-N
XLogP4.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline?
The IUPAC name of 2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline (CID 126596217) is 2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline.
What is the SMILES notation for 2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline?
The canonical SMILES for 2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline is C=C(C)N(C(=C)c1cncc(C)c1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline?
The InChIKey is PIDXUBUOZYMEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2/c1-11(2)21(17-15(18)6-5-7-16(17)19)13(4)14-8-12(3)9-20-10-14/h5-10H,1,4H2,2-3H3.
What are the key properties of 2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline?
2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline has a molecular weight of 286.33 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline is sourced from PubChem (CID 126596217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).