5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C8H8BrF3N2 — CID 61373777

IUPAC5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCN(CC(F)(F)F)c1ccc(Br)cn1
InChIInChI=1S/C8H8BrF3N2/c1-14(5-8(10,11)12)7-3-2-6(9)4-13-7/h2-4H,5H2,1H3
InChIKeySVYVYLUHOYDHNB-UHFFFAOYSA-N
MW269.06 g/mol
LogP2.84
Rot. Bonds2

About 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 61373777) has the molecular formula C8H8BrF3N2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID61373777
Molecular FormulaC8H8BrF3N2
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Name5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCN(CC(F)(F)F)c1ccc(Br)cn1
InChIInChI=1S/C8H8BrF3N2/c1-14(5-8(10,11)12)7-3-2-6(9)4-13-7/h2-4H,5H2,1H3
InChIKeySVYVYLUHOYDHNB-UHFFFAOYSA-N
XLogP2.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 61373777) is 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CN(CC(F)(F)F)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is SVYVYLUHOYDHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2/c1-14(5-8(10,11)12)7-3-2-6(9)4-13-7/h2-4H,5H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 269.06 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 61373777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).