5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine

C13H11F3N2 — CID 11391094

IUPAC5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine
SMILES[H]/N=c1\ccc(C)cn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2/c1-9-5-6-12(17)18(8-9)11-4-2-3-10(7-11)13(14,15)16/h2-8,17H,1H3/b17-12+
InChIKeyRVTJQAHFTVBGGT-SFQUDFHCSA-N
MW252.24 g/mol
LogP3.28
Rot. Bonds1

About 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine

5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine (PubChem CID 11391094) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine.

Molecular Properties

Compound Name5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine
PubChem CID11391094
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine
SMILES[H]/N=c1\ccc(C)cn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2/c1-9-5-6-12(17)18(8-9)11-4-2-3-10(7-11)13(14,15)16/h2-8,17H,1H3/b17-12+
InChIKeyRVTJQAHFTVBGGT-SFQUDFHCSA-N
XLogP3.28
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine?
The IUPAC name of 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine (CID 11391094) is 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine.
What is the SMILES notation for 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine?
The canonical SMILES for 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine is [H]/N=c1\ccc(C)cn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine?
The InChIKey is RVTJQAHFTVBGGT-SFQUDFHCSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-9-5-6-12(17)18(8-9)11-4-2-3-10(7-11)13(14,15)16/h2-8,17H,1H3/b17-12+.
What are the key properties of 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine?
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine has a molecular weight of 252.24 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-imine is sourced from PubChem (CID 11391094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).