5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine

C12H8BrF3N2O — CID 61227908

IUPAC5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESNc1cc(Br)cnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8BrF3N2O/c13-8-5-10(17)11(18-6-8)19-9-3-1-2-7(4-9)12(14,15)16/h1-6H,17H2
InChIKeyKYXYSMYOUOOOCO-UHFFFAOYSA-N
MW333.11 g/mol
LogP4.24
Rot. Bonds2

About 5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine

5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine (PubChem CID 61227908) has the molecular formula C12H8BrF3N2O and a molecular weight of 333.11 g/mol. Its IUPAC name is 5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
PubChem CID61227908
Molecular FormulaC12H8BrF3N2O
Molecular Weight333.11 g/mol
Exact Mass331.98
IUPAC Name5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESNc1cc(Br)cnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8BrF3N2O/c13-8-5-10(17)11(18-6-8)19-9-3-1-2-7(4-9)12(14,15)16/h1-6H,17H2
InChIKeyKYXYSMYOUOOOCO-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The IUPAC name of 5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine (CID 61227908) is 5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The canonical SMILES for 5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine is Nc1cc(Br)cnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The InChIKey is KYXYSMYOUOOOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O/c13-8-5-10(17)11(18-6-8)19-9-3-1-2-7(4-9)12(14,15)16/h1-6H,17H2.
What are the key properties of 5-bromo-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine?
5-bromo-2-[3-(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-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 61227908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).