5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine

C13H17ClF3N3 — CID 62890967

IUPAC5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C13H17ClF3N3/c1-2-18-12-6-5-10(14)11(19-12)7-20(9-3-4-9)8-13(15,16)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyNYINRSDVCVMQEK-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.69
Rot. Bonds6

About 5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine

5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine (PubChem CID 62890967) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine
PubChem CID62890967
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C13H17ClF3N3/c1-2-18-12-6-5-10(14)11(19-12)7-20(9-3-4-9)8-13(15,16)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyNYINRSDVCVMQEK-UHFFFAOYSA-N
XLogP3.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine (CID 62890967) is 5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine is CCNc1ccc(Cl)c(CN(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine?
The InChIKey is NYINRSDVCVMQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-2-18-12-6-5-10(14)11(19-12)7-20(9-3-4-9)8-13(15,16)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of 5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine?
5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine has a molecular weight of 307.75 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62890967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).