(2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine

C10H13ClN2O2 — CID 127030000

IUPAC(2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine
SMILESClc1cccc(OC[C@@H]2CNCCO2)n1
InChIInChI=1S/C10H13ClN2O2/c11-9-2-1-3-10(13-9)15-7-8-6-12-4-5-14-8/h1-3,8,12H,4-7H2/t8-/m0/s1
InChIKeySYUZRJDEYSJIRB-QMMMGPOBSA-N
MW228.68 g/mol
LogP1.10
Rot. Bonds3

About (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine

(2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine (PubChem CID 127030000) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine
PubChem CID127030000
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine
SMILESClc1cccc(OC[C@@H]2CNCCO2)n1
InChIInChI=1S/C10H13ClN2O2/c11-9-2-1-3-10(13-9)15-7-8-6-12-4-5-14-8/h1-3,8,12H,4-7H2/t8-/m0/s1
InChIKeySYUZRJDEYSJIRB-QMMMGPOBSA-N
XLogP1.10
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine?
The IUPAC name of (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine (CID 127030000) is (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine.
What is the SMILES notation for (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine?
The canonical SMILES for (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine is Clc1cccc(OC[C@@H]2CNCCO2)n1.
What is the InChIKey of (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine?
The InChIKey is SYUZRJDEYSJIRB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-9-2-1-3-10(13-9)15-7-8-6-12-4-5-14-8/h1-3,8,12H,4-7H2/t8-/m0/s1.
What are the key properties of (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine?
(2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine has a molecular weight of 228.68 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine is sourced from PubChem (CID 127030000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).