3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine

C11H7Cl2FN2O — CID 102760667

IUPAC3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine
SMILESNc1nc(Oc2ccc(F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2FN2O/c12-8-5-9(13)11(16-10(8)15)17-7-3-1-6(14)2-4-7/h1-5H,(H2,15,16)
InChIKeyXKXWIDMDEKRKBU-UHFFFAOYSA-N
MW273.09 g/mol
LogP3.90
Rot. Bonds2

About 3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine

3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine (PubChem CID 102760667) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine
PubChem CID102760667
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine
SMILESNc1nc(Oc2ccc(F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2FN2O/c12-8-5-9(13)11(16-10(8)15)17-7-3-1-6(14)2-4-7/h1-5H,(H2,15,16)
InChIKeyXKXWIDMDEKRKBU-UHFFFAOYSA-N
XLogP3.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 53.90
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-(4-fluorophenoxy)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine (CID 102760667) is 3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine is Nc1nc(Oc2ccc(F)cc2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine?
The InChIKey is XKXWIDMDEKRKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c12-8-5-9(13)11(16-10(8)15)17-7-3-1-6(14)2-4-7/h1-5H,(H2,15,16).
What are the key properties of 3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine?
3,5-dichloro-6-(4-fluorophenoxy)pyridin-2-amine has a molecular weight of 273.09 g/mol, XLogP of 3.90, 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-(4-fluorophenoxy)pyridin-2-amine is sourced from PubChem (CID 102760667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).