tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate

C15H18ClFN2O4 — CID 118173490

IUPACtert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](C(=O)c2ccnc(Cl)c2F)C1
InChIInChI=1S/C15H18ClFN2O4/c1-15(2,3)23-14(21)19-6-7-22-10(8-19)12(20)9-4-5-18-13(16)11(9)17/h4-5,10H,6-8H2,1-3H3/t10-/m1/s1
InChIKeyXZVPXGNHWJZPCM-SNVBAGLBSA-N
MW344.77 g/mol
LogP2.69
Rot. Bonds2

About tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate

tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate (PubChem CID 118173490) has the molecular formula C15H18ClFN2O4 and a molecular weight of 344.77 g/mol. Its IUPAC name is tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate
PubChem CID118173490
Molecular FormulaC15H18ClFN2O4
Molecular Weight344.77 g/mol
Exact Mass344.09
IUPAC Nametert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](C(=O)c2ccnc(Cl)c2F)C1
InChIInChI=1S/C15H18ClFN2O4/c1-15(2,3)23-14(21)19-6-7-22-10(8-19)12(20)9-4-5-18-13(16)11(9)17/h4-5,10H,6-8H2,1-3H3/t10-/m1/s1
InChIKeyXZVPXGNHWJZPCM-SNVBAGLBSA-N
XLogP2.69
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate
CID 68598494
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282
tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbonyl)morpholine-4-carboxylate
CID 59232095
tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate
CID 153400231
tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
CID 172992087
tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
CID 176629684
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl (2R)-2-[(3-amino-5-fluoro-2-pyridinyl)carbamoyl]morpholine-4-carboxylate
CID 138710378
tert-butyl (2S)-4-(2-chloro-3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 131996968
(2R)-1-(2-chloropyridine-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 86331737
tert-butyl 2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl]morpholine-4-carboxylate
CID 171493468

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate (CID 118173490) is tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)c2ccnc(Cl)c2F)C1.
What is the InChIKey of tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate?
The InChIKey is XZVPXGNHWJZPCM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18ClFN2O4/c1-15(2,3)23-14(21)19-6-7-22-10(8-19)12(20)9-4-5-18-13(16)11(9)17/h4-5,10H,6-8H2,1-3H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate?
tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate has a molecular weight of 344.77 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate is sourced from PubChem (CID 118173490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).