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

C11H14ClF3N2O — CID 62885792

IUPAC5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESCCCNc1ccc(Cl)c(COCC(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N2O/c1-2-5-16-10-4-3-8(12)9(17-10)6-18-7-11(13,14)15/h3-4H,2,5-7H2,1H3,(H,16,17)
InChIKeyTWQPEEOYBAAWSE-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.64
Rot. Bonds6

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

5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (PubChem CID 62885792) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
PubChem CID62885792
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESCCCNc1ccc(Cl)c(COCC(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N2O/c1-2-5-16-10-4-3-8(12)9(17-10)6-18-7-11(13,14)15/h3-4H,2,5-7H2,1H3,(H,16,17)
InChIKeyTWQPEEOYBAAWSE-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (CID 62885792) is 5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is CCCNc1ccc(Cl)c(COCC(F)(F)F)n1.
What is the InChIKey of 5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The InChIKey is TWQPEEOYBAAWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-2-5-16-10-4-3-8(12)9(17-10)6-18-7-11(13,14)15/h3-4H,2,5-7H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine has a molecular weight of 282.69 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is sourced from PubChem (CID 62885792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).