5-bromo-4-(trifluoromethyl)pyridin-2-amine

C6H4BrF3N2 — CID 28875348

IUPAC5-bromo-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(Br)cn1
InChIInChI=1S/C6H4BrF3N2/c7-4-2-12-5(11)1-3(4)6(8,9)10/h1-2H,(H2,11,12)
InChIKeyAEWYLVDLWQPJGW-UHFFFAOYSA-N
MW241.01 g/mol
LogP2.45
Rot. Bonds

About 5-bromo-4-(trifluoromethyl)pyridin-2-amine

5-bromo-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 28875348) has the molecular formula C6H4BrF3N2 and a molecular weight of 241.01 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(trifluoromethyl)pyridin-2-amine
PubChem CID28875348
Molecular FormulaC6H4BrF3N2
Molecular Weight241.01 g/mol
Exact Mass239.95
IUPAC Name5-bromo-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(Br)cn1
InChIInChI=1S/C6H4BrF3N2/c7-4-2-12-5(11)1-3(4)6(8,9)10/h1-2H,(H2,11,12)
InChIKeyAEWYLVDLWQPJGW-UHFFFAOYSA-N
XLogP2.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.01
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-(trifluoromethyl)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-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-(trifluoromethyl)pyridin-2-amine (CID 28875348) is 5-bromo-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(Br)cn1.
What is the InChIKey of 5-bromo-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AEWYLVDLWQPJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2/c7-4-2-12-5(11)1-3(4)6(8,9)10/h1-2H,(H2,11,12).
What are the key properties of 5-bromo-4-(trifluoromethyl)pyridin-2-amine?
5-bromo-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 241.01 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 28875348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).