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

C9H10ClF3N2O — CID 62885965

IUPAC5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESCNc1ccc(Cl)c(COCC(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O/c1-14-8-3-2-6(10)7(15-8)4-16-5-9(11,12)13/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyCSWQXMXBWXDNHS-UHFFFAOYSA-N
MW254.64 g/mol
LogP2.86
Rot. Bonds4

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

5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (PubChem CID 62885965) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
PubChem CID62885965
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESCNc1ccc(Cl)c(COCC(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O/c1-14-8-3-2-6(10)7(15-8)4-16-5-9(11,12)13/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyCSWQXMXBWXDNHS-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (CID 62885965) is 5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is CNc1ccc(Cl)c(COCC(F)(F)F)n1.
What is the InChIKey of 5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The InChIKey is CSWQXMXBWXDNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c1-14-8-3-2-6(10)7(15-8)4-16-5-9(11,12)13/h2-3H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine has a molecular weight of 254.64 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is sourced from PubChem (CID 62885965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).