1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol

C23H21ClF3N3O2 — CID 74066204

IUPAC1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol
SMILESOC(c1cccnc1-c1ccc(Cl)c(C(F)(F)F)c1)C(c1cccnc1)N1CCOCC1
InChIInChI=1S/C23H21ClF3N3O2/c24-19-6-5-15(13-18(19)23(25,26)27)20-17(4-2-8-29-20)22(31)21(16-3-1-7-28-14-16)30-9-11-32-12-10-30/h1-8,13-14,21-22,31H,9-12H2
InChIKeyODAYAXZSDGVYGL-UHFFFAOYSA-N
MW463.89 g/mol
LogP4.92
Rot. Bonds5

About 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol

1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol (PubChem CID 74066204) has the molecular formula C23H21ClF3N3O2 and a molecular weight of 463.89 g/mol. Its IUPAC name is 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol
PubChem CID74066204
Molecular FormulaC23H21ClF3N3O2
Molecular Weight463.89 g/mol
Exact Mass463.13
IUPAC Name1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol
SMILESOC(c1cccnc1-c1ccc(Cl)c(C(F)(F)F)c1)C(c1cccnc1)N1CCOCC1
InChIInChI=1S/C23H21ClF3N3O2/c24-19-6-5-15(13-18(19)23(25,26)27)20-17(4-2-8-29-20)22(31)21(16-3-1-7-28-14-16)30-9-11-32-12-10-30/h1-8,13-14,21-22,31H,9-12H2
InChIKeyODAYAXZSDGVYGL-UHFFFAOYSA-N
XLogP4.92
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.89
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol with MolForge

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Related Compounds

(7R,9S)-7-(((3R,4R)-4-(2-chloro-4-fluorophenyl)-3-hydroxypiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11188910
1-[2-(2,3-Dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol
CID 16722240
1-[2-(2-Chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol
CID 16722242
(1R)-1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol
CID 16722295
(7R,9S)-7-((4-(2-chlorophenyl)piperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894428
1-[2-(3,5-Dichlorophenyl)-3-pyridinyl]-2-pyridin-2-yl-2-pyridin-3-ylethanol
CID 137640626
1-[2-(3-Chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol
CID 137642361
(1R)-2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
CID 137651426
[1-[(2-Chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 53193354
2,2-Dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]pyridin-3-yl]ethanol
CID 16722296
(4-Chlorophenyl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 20794849
(1R,2S)-1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 23585302

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol?
The IUPAC name of 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol (CID 74066204) is 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol?
The canonical SMILES for 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol is OC(c1cccnc1-c1ccc(Cl)c(C(F)(F)F)c1)C(c1cccnc1)N1CCOCC1.
What is the InChIKey of 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol?
The InChIKey is ODAYAXZSDGVYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N3O2/c24-19-6-5-15(13-18(19)23(25,26)27)20-17(4-2-8-29-20)22(31)21(16-3-1-7-28-14-16)30-9-11-32-12-10-30/h1-8,13-14,21-22,31H,9-12H2.
What are the key properties of 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol?
1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol has a molecular weight of 463.89 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol is sourced from PubChem (CID 74066204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).