(3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine

C16H17ClN2O — CID 171499175

IUPAC(3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine
SMILESC[C@@H]1COC[C@@H](c2cc(Cl)nc(-c3ccccc3)c2)N1
InChIInChI=1S/C16H17ClN2O/c1-11-9-20-10-15(18-11)13-7-14(19-16(17)8-13)12-5-3-2-4-6-12/h2-8,11,15,18H,9-10H2,1H3/t11-,15+/m1/s1
InChIKeyZNNSLGPLUDIIKC-ABAIWWIYSA-N
MW288.78 g/mol
LogP3.45
Rot. Bonds2

About (3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine

(3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine (PubChem CID 171499175) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is (3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine.

Molecular Properties

Compound Name(3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine
PubChem CID171499175
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name(3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine
SMILESC[C@@H]1COC[C@@H](c2cc(Cl)nc(-c3ccccc3)c2)N1
InChIInChI=1S/C16H17ClN2O/c1-11-9-20-10-15(18-11)13-7-14(19-16(17)8-13)12-5-3-2-4-6-12/h2-8,11,15,18H,9-10H2,1H3/t11-,15+/m1/s1
InChIKeyZNNSLGPLUDIIKC-ABAIWWIYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine?
The IUPAC name of (3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine (CID 171499175) is (3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine.
What is the SMILES notation for (3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine?
The canonical SMILES for (3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine is C[C@@H]1COC[C@@H](c2cc(Cl)nc(-c3ccccc3)c2)N1.
What is the InChIKey of (3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine?
The InChIKey is ZNNSLGPLUDIIKC-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-9-20-10-15(18-11)13-7-14(19-16(17)8-13)12-5-3-2-4-6-12/h2-8,11,15,18H,9-10H2,1H3/t11-,15+/m1/s1.
What are the key properties of (3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine?
(3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine has a molecular weight of 288.78 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine is sourced from PubChem (CID 171499175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).