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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Related Compounds

Pyrido-[1,2-a]-1,3-diazepine
CID 129798958
4-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 5226153
1-ethenyl-5-fluoro-N-methylpyridin-2-imine
CID 68334595
4-Ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium
CID 69092720
1-ethenyl-N-methyl-5-(trifluoromethyl)pyridin-2-imine
CID 146477817
1-ethenyl-N-methyl-4-(trifluoromethyl)pyridin-2-imine
CID 146507514
5-bromo-1-ethenyl-4-fluoro-N-methylpyridin-2-imine
CID 153568842
4-fluoro-N-methyl-1-prop-1-en-2-ylpyridin-2-imine
CID 156652493
1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine
CID 90654287
6-fluoro-N,1-dimethylpyridin-2-imine
CID 90654297
1-methyl-N-prop-1-en-2-yl-4-(trifluoromethyl)pyridin-2-imine
CID 143911527
CID 162556269
CID 162556269

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).