(2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone

C19H18ClF3N2O3 — CID 92760487

IUPAC(2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCO[C@H](COc3cccc(C(F)(F)F)c3)C2)cc(Cl)n1
InChIInChI=1S/C19H18ClF3N2O3/c1-12-7-13(8-17(20)24-12)18(26)25-5-6-27-16(10-25)11-28-15-4-2-3-14(9-15)19(21,22)23/h2-4,7-9,16H,5-6,10-11H2,1H3/t16-/m0/s1
InChIKeyDCEHIGJOJGHFDS-INIZCTEOSA-N
MW414.81 g/mol
LogP3.98
Rot. Bonds4

About (2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone

(2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone (PubChem CID 92760487) has the molecular formula C19H18ClF3N2O3 and a molecular weight of 414.81 g/mol. Its IUPAC name is (2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
PubChem CID92760487
Molecular FormulaC19H18ClF3N2O3
Molecular Weight414.81 g/mol
Exact Mass414.10
IUPAC Name(2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCO[C@H](COc3cccc(C(F)(F)F)c3)C2)cc(Cl)n1
InChIInChI=1S/C19H18ClF3N2O3/c1-12-7-13(8-17(20)24-12)18(26)25-5-6-27-16(10-25)11-28-15-4-2-3-14(9-15)19(21,22)23/h2-4,7-9,16H,5-6,10-11H2,1H3/t16-/m0/s1
InChIKeyDCEHIGJOJGHFDS-INIZCTEOSA-N
XLogP3.98
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.81
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 92761333
(4-fluorophenyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 71955614
3-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carbonyl]benzonitrile
CID 92759892
(6-bromo-2-pyridinyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 46100342
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
[2-(hydroxymethyl)morpholin-4-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 71846639
benzyl N-[1-oxo-1-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]propan-2-yl]carbamate
CID 46100282
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 61338561
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
(2S)-1-[(2R)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]butan-2-ol
CID 99730970
2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide
CID 87679982

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone?
The IUPAC name of (2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone (CID 92760487) is (2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone is Cc1cc(C(=O)N2CCO[C@H](COc3cccc(C(F)(F)F)c3)C2)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone?
The InChIKey is DCEHIGJOJGHFDS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18ClF3N2O3/c1-12-7-13(8-17(20)24-12)18(26)25-5-6-27-16(10-25)11-28-15-4-2-3-14(9-15)19(21,22)23/h2-4,7-9,16H,5-6,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone?
(2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone has a molecular weight of 414.81 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 92760487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).