6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine

C13H10BrF3N2O — CID 102720089

IUPAC6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(Oc2cc(C(F)(F)F)cc(N)n2)ccc1Br
InChIInChI=1S/C13H10BrF3N2O/c1-7-4-9(2-3-10(7)14)20-12-6-8(13(15,16)17)5-11(18)19-12/h2-6H,1H3,(H2,18,19)
InChIKeyCASVFRHRBGQPLL-UHFFFAOYSA-N
MW347.13 g/mol
LogP4.55
Rot. Bonds2

About 6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine

6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720089) has the molecular formula C13H10BrF3N2O and a molecular weight of 347.13 g/mol. Its IUPAC name is 6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720089
Molecular FormulaC13H10BrF3N2O
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(Oc2cc(C(F)(F)F)cc(N)n2)ccc1Br
InChIInChI=1S/C13H10BrF3N2O/c1-7-4-9(2-3-10(7)14)20-12-6-8(13(15,16)17)5-11(18)19-12/h2-6H,1H3,(H2,18,19)
InChIKeyCASVFRHRBGQPLL-UHFFFAOYSA-N
XLogP4.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-bromo-3-methylphenoxy)-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

Related Compounds

2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine
CID 83133978
[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776480
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
CID 83135228
4-(4-bromo-3-methylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566596
6-(5-fluoro-2-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102989067
6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102720122
6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine
CID 102720115
6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107171778
4-[2-bromo-4-(trifluoromethyl)phenoxy]-2-methylaniline
CID 115511819
6-(4-bromo-3-methylphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 83133166
5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80878320

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102720089) is 6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine is Cc1cc(Oc2cc(C(F)(F)F)cc(N)n2)ccc1Br.
What is the InChIKey of 6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CASVFRHRBGQPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O/c1-7-4-9(2-3-10(7)14)20-12-6-8(13(15,16)17)5-11(18)19-12/h2-6H,1H3,(H2,18,19).
What are the key properties of 6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine?
6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 347.13 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).