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

C8H8ClF3N2O — CID 62885966

IUPAC5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESNc1ccc(Cl)c(COCC(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2O/c9-5-1-2-7(13)14-6(5)3-15-4-8(10,11)12/h1-2H,3-4H2,(H2,13,14)
InChIKeyKSPVXLBPEOASJR-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.40
Rot. Bonds3

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

5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (PubChem CID 62885966) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
PubChem CID62885966
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESNc1ccc(Cl)c(COCC(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2O/c9-5-1-2-7(13)14-6(5)3-15-4-8(10,11)12/h1-2H,3-4H2,(H2,13,14)
InChIKeyKSPVXLBPEOASJR-UHFFFAOYSA-N
XLogP2.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (CID 62885966) is 5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is Nc1ccc(Cl)c(COCC(F)(F)F)n1.
What is the InChIKey of 5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The InChIKey is KSPVXLBPEOASJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c9-5-1-2-7(13)14-6(5)3-15-4-8(10,11)12/h1-2H,3-4H2,(H2,13,14).
What are the key properties of 5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine has a molecular weight of 240.61 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is sourced from PubChem (CID 62885966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).