5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine

C12H8BrF3N2O — CID 79534490

IUPAC5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESNc1cnc(Oc2ccc(C(F)(F)F)cc2)c(Br)c1
InChIInChI=1S/C12H8BrF3N2O/c13-10-5-8(17)6-18-11(10)19-9-3-1-7(2-4-9)12(14,15)16/h1-6H,17H2
InChIKeyNNQAAFKFDDSDPQ-UHFFFAOYSA-N
MW333.11 g/mol
LogP4.24
Rot. Bonds2

About 5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine

5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine (PubChem CID 79534490) has the molecular formula C12H8BrF3N2O and a molecular weight of 333.11 g/mol. Its IUPAC name is 5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine
PubChem CID79534490
Molecular FormulaC12H8BrF3N2O
Molecular Weight333.11 g/mol
Exact Mass331.98
IUPAC Name5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESNc1cnc(Oc2ccc(C(F)(F)F)cc2)c(Br)c1
InChIInChI=1S/C12H8BrF3N2O/c13-10-5-8(17)6-18-11(10)19-9-3-1-7(2-4-9)12(14,15)16/h1-6H,17H2
InChIKeyNNQAAFKFDDSDPQ-UHFFFAOYSA-N
XLogP4.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.11
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-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-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine?
The IUPAC name of 5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine (CID 79534490) is 5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine?
The canonical SMILES for 5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine is Nc1cnc(Oc2ccc(C(F)(F)F)cc2)c(Br)c1.
What is the InChIKey of 5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine?
The InChIKey is NNQAAFKFDDSDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O/c13-10-5-8(17)6-18-11(10)19-9-3-1-7(2-4-9)12(14,15)16/h1-6H,17H2.
What are the key properties of 5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine?
5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine has a molecular weight of 333.11 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 79534490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).