1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide

C8H10BrF3N2 — CID 90654286

IUPAC1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide
SMILESBr.Cn1cccc/c1=N\CC(F)(F)F
InChIInChI=1S/C8H9F3N2.BrH/c1-13-5-3-2-4-7(13)12-6-8(9,10)11;/h2-5H,6H2,1H3;1H/b12-7+;
InChIKeyJYFLTWPQGNTBQV-RRAJOLSVSA-N
MW271.08 g/mol
LogP2.07
Rot. Bonds1

About 1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide

1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide (PubChem CID 90654286) has the molecular formula C8H10BrF3N2 and a molecular weight of 271.08 g/mol. Its IUPAC name is 1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide.

Molecular Properties

Compound Name1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide
PubChem CID90654286
Molecular FormulaC8H10BrF3N2
Molecular Weight271.08 g/mol
Exact Mass270.00
IUPAC Name1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide
SMILESBr.Cn1cccc/c1=N\CC(F)(F)F
InChIInChI=1S/C8H9F3N2.BrH/c1-13-5-3-2-4-7(13)12-6-8(9,10)11;/h2-5H,6H2,1H3;1H/b12-7+;
InChIKeyJYFLTWPQGNTBQV-RRAJOLSVSA-N
XLogP2.07
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide?
The IUPAC name of 1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide (CID 90654286) is 1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide.
What is the SMILES notation for 1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide?
The canonical SMILES for 1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide is Br.Cn1cccc/c1=N\CC(F)(F)F.
What is the InChIKey of 1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide?
The InChIKey is JYFLTWPQGNTBQV-RRAJOLSVSA-N. The full InChI is InChI=1S/C8H9F3N2.BrH/c1-13-5-3-2-4-7(13)12-6-8(9,10)11;/h2-5H,6H2,1H3;1H/b12-7+;.
What are the key properties of 1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide?
1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide has a molecular weight of 271.08 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide is sourced from PubChem (CID 90654286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).