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

C13H9Cl2F3N2O — CID 102760731

IUPAC3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
SMILESCNc1nc(Oc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F3N2O/c1-19-11-9(14)6-10(15)12(20-11)21-8-4-2-3-7(5-8)13(16,17)18/h2-6H,1H3,(H,19,20)
InChIKeyDHBKDQCBFQAJEA-UHFFFAOYSA-N
MW337.13 g/mol
LogP5.24
Rot. Bonds3

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

3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine (PubChem CID 102760731) has the molecular formula C13H9Cl2F3N2O and a molecular weight of 337.13 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
PubChem CID102760731
Molecular FormulaC13H9Cl2F3N2O
Molecular Weight337.13 g/mol
Exact Mass336.00
IUPAC Name3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
SMILESCNc1nc(Oc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F3N2O/c1-19-11-9(14)6-10(15)12(20-11)21-8-4-2-3-7(5-8)13(16,17)18/h2-6H,1H3,(H,19,20)
InChIKeyDHBKDQCBFQAJEA-UHFFFAOYSA-N
XLogP5.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.13
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine (CID 102760731) is 3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine is CNc1nc(Oc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine?
The InChIKey is DHBKDQCBFQAJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2O/c1-19-11-9(14)6-10(15)12(20-11)21-8-4-2-3-7(5-8)13(16,17)18/h2-6H,1H3,(H,19,20).
What are the key properties of 3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine?
3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine has a molecular weight of 337.13 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-6-[3-(trifluoromethyl)phenoxy]pyridin-2-amine is sourced from PubChem (CID 102760731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).