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

C12H9Cl2FN2O — CID 102761094

IUPAC3,5-dichloro-6-(4-fluoro-3-methylphenoxy)pyridin-2-amine
SMILESCc1cc(Oc2nc(N)c(Cl)cc2Cl)ccc1F
InChIInChI=1S/C12H9Cl2FN2O/c1-6-4-7(2-3-10(6)15)18-12-9(14)5-8(13)11(16)17-12/h2-5H,1H3,(H2,16,17)
InChIKeyQTCFOKCVUDDNKN-UHFFFAOYSA-N
MW287.12 g/mol
LogP4.21
Rot. Bonds2

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

3,5-dichloro-6-(4-fluoro-3-methylphenoxy)pyridin-2-amine (PubChem CID 102761094) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 3,5-dichloro-6-(4-fluoro-3-methylphenoxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(4-fluoro-3-methylphenoxy)pyridin-2-amine
PubChem CID102761094
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name3,5-dichloro-6-(4-fluoro-3-methylphenoxy)pyridin-2-amine
SMILESCc1cc(Oc2nc(N)c(Cl)cc2Cl)ccc1F
InChIInChI=1S/C12H9Cl2FN2O/c1-6-4-7(2-3-10(6)15)18-12-9(14)5-8(13)11(16)17-12/h2-5H,1H3,(H2,16,17)
InChIKeyQTCFOKCVUDDNKN-UHFFFAOYSA-N
XLogP4.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 54.21
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-fluoro-3-methylphenoxy)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(4-fluoro-3-methylphenoxy)pyridin-2-amine (CID 102761094) is 3,5-dichloro-6-(4-fluoro-3-methylphenoxy)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(4-fluoro-3-methylphenoxy)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(4-fluoro-3-methylphenoxy)pyridin-2-amine is Cc1cc(Oc2nc(N)c(Cl)cc2Cl)ccc1F.
What is the InChIKey of 3,5-dichloro-6-(4-fluoro-3-methylphenoxy)pyridin-2-amine?
The InChIKey is QTCFOKCVUDDNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c1-6-4-7(2-3-10(6)15)18-12-9(14)5-8(13)11(16)17-12/h2-5H,1H3,(H2,16,17).
What are the key properties of 3,5-dichloro-6-(4-fluoro-3-methylphenoxy)pyridin-2-amine?
3,5-dichloro-6-(4-fluoro-3-methylphenoxy)pyridin-2-amine has a molecular weight of 287.12 g/mol, XLogP of 4.21, 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-fluoro-3-methylphenoxy)pyridin-2-amine is sourced from PubChem (CID 102761094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).