6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine

C12H7Cl2F3N2O — CID 2727274

IUPAC6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(Oc2c(Cl)cccc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H7Cl2F3N2O/c13-8-2-1-3-9(14)10(8)20-11-7(12(15,16)17)4-6(18)5-19-11/h1-5H,18H2
InChIKeySHAOBOYFSIBHML-UHFFFAOYSA-N
MW323.10 g/mol
LogP4.78
Rot. Bonds2

About 6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine

6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 2727274) has the molecular formula C12H7Cl2F3N2O and a molecular weight of 323.10 g/mol. Its IUPAC name is 6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine
PubChem CID2727274
Molecular FormulaC12H7Cl2F3N2O
Molecular Weight323.10 g/mol
Exact Mass321.99
IUPAC Name6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(Oc2c(Cl)cccc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H7Cl2F3N2O/c13-8-2-1-3-9(14)10(8)20-11-7(12(15,16)17)4-6(18)5-19-11/h1-5H,18H2
InChIKeySHAOBOYFSIBHML-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 6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine (CID 2727274) is 6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine is Nc1cnc(Oc2c(Cl)cccc2Cl)c(C(F)(F)F)c1.
What is the InChIKey of 6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is SHAOBOYFSIBHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O/c13-8-2-1-3-9(14)10(8)20-11-7(12(15,16)17)4-6(18)5-19-11/h1-5H,18H2.
What are the key properties of 6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine?
6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-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 6-(2,6-dichlorophenoxy)-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 2727274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).