3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine

C12H15ClF3N3O — CID 2119054

IUPAC3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H15ClF3N3O/c13-10-7-9(12(14,15)16)8-18-11(10)17-1-2-19-3-5-20-6-4-19/h7-8H,1-6H2,(H,17,18)
InChIKeySQDYWBYCDUTWDG-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.50
Rot. Bonds4

About 3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 2119054) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID2119054
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H15ClF3N3O/c13-10-7-9(12(14,15)16)8-18-11(10)17-1-2-19-3-5-20-6-4-19/h7-8H,1-6H2,(H,17,18)
InChIKeySQDYWBYCDUTWDG-UHFFFAOYSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 2119054) is 3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCCN2CCOCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SQDYWBYCDUTWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c13-10-7-9(12(14,15)16)8-18-11(10)17-1-2-19-3-5-20-6-4-19/h7-8H,1-6H2,(H,17,18).
What are the key properties of 3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 309.72 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 2119054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).