6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

C13H9ClF4N2O — CID 102720106

IUPAC6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H9ClF4N2O/c1-19-10-5-7(13(16,17)18)6-11(20-10)21-9-4-2-3-8(14)12(9)15/h2-6H,1H3,(H,19,20)
InChIKeyDBPGMJRPJABEIA-UHFFFAOYSA-N
MW320.67 g/mol
LogP4.73
Rot. Bonds3

About 6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720106) has the molecular formula C13H9ClF4N2O and a molecular weight of 320.67 g/mol. Its IUPAC name is 6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720106
Molecular FormulaC13H9ClF4N2O
Molecular Weight320.67 g/mol
Exact Mass320.03
IUPAC Name6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H9ClF4N2O/c1-19-10-5-7(13(16,17)18)6-11(20-10)21-9-4-2-3-8(14)12(9)15/h2-6H,1H3,(H,19,20)
InChIKeyDBPGMJRPJABEIA-UHFFFAOYSA-N
XLogP4.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.67
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720106) is 6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)cc(Oc2cccc(Cl)c2F)n1.
What is the InChIKey of 6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DBPGMJRPJABEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF4N2O/c1-19-10-5-7(13(16,17)18)6-11(20-10)21-9-4-2-3-8(14)12(9)15/h2-6H,1H3,(H,19,20).
What are the key properties of 6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 320.67 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).