3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine

C12H8BrF3N2O — CID 171590489

IUPAC3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
SMILESNc1ncc(Oc2ccc(C(F)(F)F)cc2)cc1Br
InChIInChI=1S/C12H8BrF3N2O/c13-10-5-9(6-18-11(10)17)19-8-3-1-7(2-4-8)12(14,15)16/h1-6H,(H2,17,18)
InChIKeyMKZAYFIALPEBHJ-UHFFFAOYSA-N
MW333.11 g/mol
LogP4.24
Rot. Bonds2

About 3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine

3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine (PubChem CID 171590489) has the molecular formula C12H8BrF3N2O and a molecular weight of 333.11 g/mol. Its IUPAC name is 3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
PubChem CID171590489
Molecular FormulaC12H8BrF3N2O
Molecular Weight333.11 g/mol
Exact Mass331.98
IUPAC Name3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
SMILESNc1ncc(Oc2ccc(C(F)(F)F)cc2)cc1Br
InChIInChI=1S/C12H8BrF3N2O/c13-10-5-9(6-18-11(10)17)19-8-3-1-7(2-4-8)12(14,15)16/h1-6H,(H2,17,18)
InChIKeyMKZAYFIALPEBHJ-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 3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine?
The IUPAC name of 3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine (CID 171590489) is 3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine is Nc1ncc(Oc2ccc(C(F)(F)F)cc2)cc1Br.
What is the InChIKey of 3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine?
The InChIKey is MKZAYFIALPEBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O/c13-10-5-9(6-18-11(10)17)19-8-3-1-7(2-4-8)12(14,15)16/h1-6H,(H2,17,18).
What are the key properties of 3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine?
3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-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 3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine is sourced from PubChem (CID 171590489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).