1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine

C9H9F3N2 — CID 146477817

IUPAC1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine
SMILESC=Cn1cc(C(F)(F)F)cc/c1=N\C
InChIInChI=1S/C9H9F3N2/c1-3-14-6-7(9(10,11)12)4-5-8(14)13-2/h3-6H,1H2,2H3/b13-8+
InChIKeyPHPSOLDELIMHQS-MDWZMJQESA-N
MW202.18 g/mol
LogP2.14
Rot. Bonds1

About 1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine

1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine (PubChem CID 146477817) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine.

Molecular Properties

Compound Name1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine
PubChem CID146477817
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine
SMILESC=Cn1cc(C(F)(F)F)cc/c1=N\C
InChIInChI=1S/C9H9F3N2/c1-3-14-6-7(9(10,11)12)4-5-8(14)13-2/h3-6H,1H2,2H3/b13-8+
InChIKeyPHPSOLDELIMHQS-MDWZMJQESA-N
XLogP2.14
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine?
The IUPAC name of 1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine (CID 146477817) is 1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine.
What is the SMILES notation for 1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine?
The canonical SMILES for 1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine is C=Cn1cc(C(F)(F)F)cc/c1=N\C.
What is the InChIKey of 1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine?
The InChIKey is PHPSOLDELIMHQS-MDWZMJQESA-N. The full InChI is InChI=1S/C9H9F3N2/c1-3-14-6-7(9(10,11)12)4-5-8(14)13-2/h3-6H,1H2,2H3/b13-8+.
What are the key properties of 1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine?
1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine has a molecular weight of 202.18 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine is sourced from PubChem (CID 146477817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).