(2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine

C11H10ClF3N4O — CID 170677847

IUPAC(2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)[C@H]1CN(c2ccc3nc(Cl)nn3c2)CCO1
InChIInChI=1S/C11H10ClF3N4O/c12-10-16-9-2-1-7(5-19(9)17-10)18-3-4-20-8(6-18)11(13,14)15/h1-2,5,8H,3-4,6H2/t8-/m1/s1
InChIKeyRKWUFUREYZBGAU-MRVPVSSYSA-N
MW306.68 g/mol
LogP2.15
Rot. Bonds1

About (2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine

(2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine (PubChem CID 170677847) has the molecular formula C11H10ClF3N4O and a molecular weight of 306.68 g/mol. Its IUPAC name is (2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine
PubChem CID170677847
Molecular FormulaC11H10ClF3N4O
Molecular Weight306.68 g/mol
Exact Mass306.05
IUPAC Name(2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)[C@H]1CN(c2ccc3nc(Cl)nn3c2)CCO1
InChIInChI=1S/C11H10ClF3N4O/c12-10-16-9-2-1-7(5-19(9)17-10)18-3-4-20-8(6-18)11(13,14)15/h1-2,5,8H,3-4,6H2/t8-/m1/s1
InChIKeyRKWUFUREYZBGAU-MRVPVSSYSA-N
XLogP2.15
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of (2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine (CID 170677847) is (2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine is FC(F)(F)[C@H]1CN(c2ccc3nc(Cl)nn3c2)CCO1.
What is the InChIKey of (2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is RKWUFUREYZBGAU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O/c12-10-16-9-2-1-7(5-19(9)17-10)18-3-4-20-8(6-18)11(13,14)15/h1-2,5,8H,3-4,6H2/t8-/m1/s1.
What are the key properties of (2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine?
(2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 306.68 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 170677847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).