6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine

C12H7BrF4N2O — CID 102720122

IUPAC6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(Oc2cc(Br)ccc2F)n1
InChIInChI=1S/C12H7BrF4N2O/c13-7-1-2-8(14)9(5-7)20-11-4-6(12(15,16)17)3-10(18)19-11/h1-5H,(H2,18,19)
InChIKeyJMBIZHFAHVGIQZ-UHFFFAOYSA-N
MW351.10 g/mol
LogP4.38
Rot. Bonds2

About 6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine

6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720122) has the molecular formula C12H7BrF4N2O and a molecular weight of 351.10 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720122
Molecular FormulaC12H7BrF4N2O
Molecular Weight351.10 g/mol
Exact Mass349.97
IUPAC Name6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(Oc2cc(Br)ccc2F)n1
InChIInChI=1S/C12H7BrF4N2O/c13-7-1-2-8(14)9(5-7)20-11-4-6(12(15,16)17)3-10(18)19-11/h1-5H,(H2,18,19)
InChIKeyJMBIZHFAHVGIQZ-UHFFFAOYSA-N
XLogP4.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.10
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-fluoro-2-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102989067
6-(4-bromo-2-fluorophenoxy)pyrimidine-2,4-diamine
CID 80881775
6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102720089
5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 66330854
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244
6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719899
6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717020
2-(5-bromo-2-fluorophenoxy)quinolin-6-amine
CID 114671712
4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 114673155
[6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine
CID 114677416
4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine
CID 114673114
2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 114672339

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102720122) is 6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(Oc2cc(Br)ccc2F)n1.
What is the InChIKey of 6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JMBIZHFAHVGIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF4N2O/c13-7-1-2-8(14)9(5-7)20-11-4-6(12(15,16)17)3-10(18)19-11/h1-5H,(H2,18,19).
What are the key properties of 6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine?
6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 351.10 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).