2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine

C12H7BrClF3N2O2 — CID 102713947

IUPAC2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1Oc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C12H7BrClF3N2O2/c13-7-5-6(1-3-9(7)21-12(15,16)17)20-11-8(18)2-4-10(14)19-11/h1-5H,18H2
InChIKeyGSBNFKPVBUZACI-UHFFFAOYSA-N
MW383.55 g/mol
LogP4.77
Rot. Bonds3

About 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine

2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine (PubChem CID 102713947) has the molecular formula C12H7BrClF3N2O2 and a molecular weight of 383.55 g/mol. Its IUPAC name is 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine.

Molecular Properties

Compound Name2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine
PubChem CID102713947
Molecular FormulaC12H7BrClF3N2O2
Molecular Weight383.55 g/mol
Exact Mass381.93
IUPAC Name2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1Oc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C12H7BrClF3N2O2/c13-7-5-6(1-3-9(7)21-12(15,16)17)20-11-8(18)2-4-10(14)19-11/h1-5H,18H2
InChIKeyGSBNFKPVBUZACI-UHFFFAOYSA-N
XLogP4.77
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-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

Related Compounds

2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine
CID 102714502
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine
CID 102714042
2-(3-bromophenoxy)-6-chloropyridin-3-amine
CID 115474432
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-5-methylaniline
CID 102713939
[2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine
CID 102714960
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine
CID 102714035
6-chloro-3-(trifluoromethoxy)pyridin-2-amine
CID 118991079
3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine
CID 102714410
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 113317073
2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine
CID 107283340
6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 115474420
6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine
CID 115474542

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine?
The IUPAC name of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine (CID 102713947) is 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine.
What is the SMILES notation for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine?
The canonical SMILES for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine is Nc1ccc(Cl)nc1Oc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine?
The InChIKey is GSBNFKPVBUZACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF3N2O2/c13-7-5-6(1-3-9(7)21-12(15,16)17)20-11-8(18)2-4-10(14)19-11/h1-5H,18H2.
What are the key properties of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine?
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine has a molecular weight of 383.55 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine is sourced from PubChem (CID 102713947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).