N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine

C16H17FN2 — CID 138626503

IUPACN-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine
SMILESC=C/N=c1/c(-c2cccc(C)c2F)c(C)ccn1C
InChIInChI=1S/C16H17FN2/c1-5-18-16-14(11(2)9-10-19(16)4)13-8-6-7-12(3)15(13)17/h5-10H,1H2,2-4H3/b18-16-
InChIKeyKELARXHDHCESDO-VLGSPTGOSA-N
MW256.32 g/mol
LogP3.49
Rot. Bonds2

About N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine

N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine (PubChem CID 138626503) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine.

Molecular Properties

Compound NameN-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine
PubChem CID138626503
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC NameN-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine
SMILESC=C/N=c1/c(-c2cccc(C)c2F)c(C)ccn1C
InChIInChI=1S/C16H17FN2/c1-5-18-16-14(11(2)9-10-19(16)4)13-8-6-7-12(3)15(13)17/h5-10H,1H2,2-4H3/b18-16-
InChIKeyKELARXHDHCESDO-VLGSPTGOSA-N
XLogP3.49
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine?
The IUPAC name of N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine (CID 138626503) is N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine.
What is the SMILES notation for N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine?
The canonical SMILES for N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine is C=C/N=c1/c(-c2cccc(C)c2F)c(C)ccn1C.
What is the InChIKey of N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine?
The InChIKey is KELARXHDHCESDO-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H17FN2/c1-5-18-16-14(11(2)9-10-19(16)4)13-8-6-7-12(3)15(13)17/h5-10H,1H2,2-4H3/b18-16-.
What are the key properties of N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine?
N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine has a molecular weight of 256.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine is sourced from PubChem (CID 138626503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).