6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

C13H16ClF3N2O — CID 102715598

IUPAC6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H16ClF3N2O/c1-2-19(8-10-4-3-5-20-10)12-7-9(13(15,16)17)6-11(14)18-12/h6-7,10H,2-5,8H2,1H3
InChIKeyRAEGLCOGTCWFQU-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.76
Rot. Bonds4

About 6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715598) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715598
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H16ClF3N2O/c1-2-19(8-10-4-3-5-20-10)12-7-9(13(15,16)17)6-11(14)18-12/h6-7,10H,2-5,8H2,1H3
InChIKeyRAEGLCOGTCWFQU-UHFFFAOYSA-N
XLogP3.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102715598) is 6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is CCN(CC1CCCO1)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RAEGLCOGTCWFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-2-19(8-10-4-3-5-20-10)12-7-9(13(15,16)17)6-11(14)18-12/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 308.73 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).