5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride

C14H14ClF3N2 — CID 19790738

IUPAC5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride
SMILESCl.[H]/N=c1\ccc(C)cn1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H13F3N2.ClH/c1-10-7-8-12(18)19(9-10)13(14(15,16)17)11-5-3-2-4-6-11;/h2-9,13,18H,1H3;1H/b18-12+;
InChIKeyLYTRYQXKTLMTLY-XMMWENQYSA-N
MW302.73 g/mol
LogP3.85
Rot. Bonds2

About 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride

5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride (PubChem CID 19790738) has the molecular formula C14H14ClF3N2 and a molecular weight of 302.73 g/mol. Its IUPAC name is 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride
PubChem CID19790738
Molecular FormulaC14H14ClF3N2
Molecular Weight302.73 g/mol
Exact Mass302.08
IUPAC Name5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride
SMILESCl.[H]/N=c1\ccc(C)cn1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H13F3N2.ClH/c1-10-7-8-12(18)19(9-10)13(14(15,16)17)11-5-3-2-4-6-11;/h2-9,13,18H,1H3;1H/b18-12+;
InChIKeyLYTRYQXKTLMTLY-XMMWENQYSA-N
XLogP3.85
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride?
The IUPAC name of 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride (CID 19790738) is 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride.
What is the SMILES notation for 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride?
The canonical SMILES for 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride is Cl.[H]/N=c1\ccc(C)cn1C(c1ccccc1)C(F)(F)F.
What is the InChIKey of 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride?
The InChIKey is LYTRYQXKTLMTLY-XMMWENQYSA-N. The full InChI is InChI=1S/C14H13F3N2.ClH/c1-10-7-8-12(18)19(9-10)13(14(15,16)17)11-5-3-2-4-6-11;/h2-9,13,18H,1H3;1H/b18-12+;.
What are the key properties of 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride?
5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride has a molecular weight of 302.73 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)pyridin-2-imine;hydrochloride is sourced from PubChem (CID 19790738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).