5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine

C10H12ClF3N2O — CID 55127645

IUPAC5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESCCNc1ccc(Cl)c(COCC(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N2O/c1-2-15-9-4-3-7(11)8(16-9)5-17-6-10(12,13)14/h3-4H,2,5-6H2,1H3,(H,15,16)
InChIKeyYEFSIYQSXJEURS-UHFFFAOYSA-N
MW268.67 g/mol
LogP3.25
Rot. Bonds5

About 5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine

5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (PubChem CID 55127645) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
PubChem CID55127645
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESCCNc1ccc(Cl)c(COCC(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N2O/c1-2-15-9-4-3-7(11)8(16-9)5-17-6-10(12,13)14/h3-4H,2,5-6H2,1H3,(H,15,16)
InChIKeyYEFSIYQSXJEURS-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (CID 55127645) is 5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is CCNc1ccc(Cl)c(COCC(F)(F)F)n1.
What is the InChIKey of 5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The InChIKey is YEFSIYQSXJEURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-2-15-9-4-3-7(11)8(16-9)5-17-6-10(12,13)14/h3-4H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine has a molecular weight of 268.67 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is sourced from PubChem (CID 55127645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).