3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine

C12H7Cl2F3N2O — CID 102760574

IUPAC3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine
SMILESNc1nc(Oc2ccccc2C(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2F3N2O/c13-7-5-8(14)11(19-10(7)18)20-9-4-2-1-3-6(9)12(15,16)17/h1-5H,(H2,18,19)
InChIKeyUUIVUUPVJSRIJV-UHFFFAOYSA-N
MW323.10 g/mol
LogP4.78
Rot. Bonds2

About 3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine

3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine (PubChem CID 102760574) has the molecular formula C12H7Cl2F3N2O and a molecular weight of 323.10 g/mol. Its IUPAC name is 3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine
PubChem CID102760574
Molecular FormulaC12H7Cl2F3N2O
Molecular Weight323.10 g/mol
Exact Mass321.99
IUPAC Name3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine
SMILESNc1nc(Oc2ccccc2C(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2F3N2O/c13-7-5-8(14)11(19-10(7)18)20-9-4-2-1-3-6(9)12(15,16)17/h1-5H,(H2,18,19)
InChIKeyUUIVUUPVJSRIJV-UHFFFAOYSA-N
XLogP4.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.10
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine (CID 102760574) is 3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine is Nc1nc(Oc2ccccc2C(F)(F)F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine?
The InChIKey is UUIVUUPVJSRIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O/c13-7-5-8(14)11(19-10(7)18)20-9-4-2-1-3-6(9)12(15,16)17/h1-5H,(H2,18,19).
What are the key properties of 3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine?
3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine has a molecular weight of 323.10 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-[2-(trifluoromethyl)phenoxy]pyridin-2-amine is sourced from PubChem (CID 102760574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).