(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine

C9H10Cl2N2O — CID 130706269

IUPAC(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine
SMILESClc1ccc([C@H]2COCCN2)nc1Cl
InChIInChI=1S/C9H10Cl2N2O/c10-6-1-2-7(13-9(6)11)8-5-14-4-3-12-8/h1-2,8,12H,3-5H2/t8-/m1/s1
InChIKeyOJCTYWRSCDXLLK-MRVPVSSYSA-N
MW233.10 g/mol
LogP2.05
Rot. Bonds1

About (3S)-3-(5,6-dichloro-2-pyridinyl)morpholine

(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine (PubChem CID 130706269) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is (3S)-3-(5,6-dichloro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine
PubChem CID130706269
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine
SMILESClc1ccc([C@H]2COCCN2)nc1Cl
InChIInChI=1S/C9H10Cl2N2O/c10-6-1-2-7(13-9(6)11)8-5-14-4-3-12-8/h1-2,8,12H,3-5H2/t8-/m1/s1
InChIKeyOJCTYWRSCDXLLK-MRVPVSSYSA-N
XLogP2.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.05
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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Related Compounds

3-(2,5-dichlorophenyl)morpholine
CID 126971180
(3R)-3-(2,6-dichlorophenyl)morpholine;hydrochloride
CID 171192450
3-(6-fluoro-2-pyridinyl)morpholine
CID 55282502
(3R)-3-(4-chloro-2-pyridinyl)morpholine
CID 55274558
(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
CID 131546881
3-(3-chloro-4-pyridinyl)morpholine
CID 55273452
(3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride
CID 171192924
(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride
CID 171192935
3-(1,2-oxazol-3-yl)morpholine
CID 82595372
3-pyridin-2-ylmorpholine
CID 54247101
6-[(3R)-morpholin-3-yl]pyridin-3-ol
CID 55274122
3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol
CID 131447436

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5,6-dichloro-2-pyridinyl)morpholine?
The IUPAC name of (3S)-3-(5,6-dichloro-2-pyridinyl)morpholine (CID 130706269) is (3S)-3-(5,6-dichloro-2-pyridinyl)morpholine.
What is the SMILES notation for (3S)-3-(5,6-dichloro-2-pyridinyl)morpholine?
The canonical SMILES for (3S)-3-(5,6-dichloro-2-pyridinyl)morpholine is Clc1ccc([C@H]2COCCN2)nc1Cl.
What is the InChIKey of (3S)-3-(5,6-dichloro-2-pyridinyl)morpholine?
The InChIKey is OJCTYWRSCDXLLK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c10-6-1-2-7(13-9(6)11)8-5-14-4-3-12-8/h1-2,8,12H,3-5H2/t8-/m1/s1.
What are the key properties of (3S)-3-(5,6-dichloro-2-pyridinyl)morpholine?
(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine has a molecular weight of 233.10 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5,6-dichloro-2-pyridinyl)morpholine is sourced from PubChem (CID 130706269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).