4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine

C12H6BrCl2F3N2O — CID 107655360

IUPAC4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(C(F)(F)F)cc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C12H6BrCl2F3N2O/c13-5-1-7(15)9(2-6(5)14)21-10-3-11(12(16,17)18)20-4-8(10)19/h1-4H,19H2
InChIKeyQGODXAXVYHFNPL-UHFFFAOYSA-N
MW402.00 g/mol
LogP5.54
Rot. Bonds2

About 4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine

4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 107655360) has the molecular formula C12H6BrCl2F3N2O and a molecular weight of 402.00 g/mol. Its IUPAC name is 4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID107655360
Molecular FormulaC12H6BrCl2F3N2O
Molecular Weight402.00 g/mol
Exact Mass399.90
IUPAC Name4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(C(F)(F)F)cc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C12H6BrCl2F3N2O/c13-5-1-7(15)9(2-6(5)14)21-10-3-11(12(16,17)18)20-4-8(10)19/h1-4H,19H2
InChIKeyQGODXAXVYHFNPL-UHFFFAOYSA-N
XLogP5.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.00
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748562
4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748404
2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine
CID 107655311
6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine
CID 106748387
4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 107662603
6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine
CID 107655292
5-bromo-4-chloro-2-(trifluoromethoxy)aniline
CID 121227608
3-amino-4-(4-bromo-2,5-dichlorophenoxy)benzoic acid
CID 107659943
2-amino-5-(4-bromo-2,5-dichlorophenoxy)-4-fluorobenzoic acid
CID 107659952
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747938
4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine
CID 106748571

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine (CID 107655360) is 4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine is Nc1cnc(C(F)(F)F)cc1Oc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is QGODXAXVYHFNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2F3N2O/c13-5-1-7(15)9(2-6(5)14)21-10-3-11(12(16,17)18)20-4-8(10)19/h1-4H,19H2.
What are the key properties of 4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine?
4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 402.00 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 107655360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).