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

C7H8BrF3N2 — CID 90654284

IUPAC1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide
SMILESBr.[H]/N=c1\ccccn1CC(F)(F)F
InChIInChI=1S/C7H7F3N2.BrH/c8-7(9,10)5-12-4-2-1-3-6(12)11;/h1-4,11H,5H2;1H/b11-6+;
InChIKeyUPMNWMHVXPWAEM-ICSBZGNSSA-N
MW257.05 g/mol
LogP2.11
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide (PubChem CID 90654284) has the molecular formula C7H8BrF3N2 and a molecular weight of 257.05 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide
PubChem CID90654284
Molecular FormulaC7H8BrF3N2
Molecular Weight257.05 g/mol
Exact Mass255.98
IUPAC Name1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide
SMILESBr.[H]/N=c1\ccccn1CC(F)(F)F
InChIInChI=1S/C7H7F3N2.BrH/c8-7(9,10)5-12-4-2-1-3-6(12)11;/h1-4,11H,5H2;1H/b11-6+;
InChIKeyUPMNWMHVXPWAEM-ICSBZGNSSA-N
XLogP2.11
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.05
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide (CID 90654284) is 1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide is Br.[H]/N=c1\ccccn1CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide?
The InChIKey is UPMNWMHVXPWAEM-ICSBZGNSSA-N. The full InChI is InChI=1S/C7H7F3N2.BrH/c8-7(9,10)5-12-4-2-1-3-6(12)11;/h1-4,11H,5H2;1H/b11-6+;.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide?
1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide has a molecular weight of 257.05 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyridin-2-imine;hydrobromide is sourced from PubChem (CID 90654284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).