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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Related Compounds

1-(3,5-Dichloropyridin-2-yl)piperazine
CID 2771431
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane
CID 735734
N-(5-chloropyridin-2-yl)-2-morpholin-4-ylacetamide
CID 1250810
3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2535882
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine
CID 667619
2-Chloro-1-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethan-1-one
CID 735808
1-(3-Chloranyl-5-iodanyl-pyridin-2-yl)piperazine
CID 162371033
2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-methylpropanamide
CID 1478431
1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1H-pyrrole-2,5-dione
CID 1486292
2-Chloro-N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)acetamide
CID 2773479
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~3~,N~3~-dimethyl-1,3-propanediamine
CID 3755918
N-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl)urea
CID 3822186

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).