(3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine

C9H10ClFN2O — CID 130647727

IUPAC(3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine
SMILESFc1ncc([C@H]2COCCN2)cc1Cl
InChIInChI=1S/C9H10ClFN2O/c10-7-3-6(4-13-9(7)11)8-5-14-2-1-12-8/h3-4,8,12H,1-2,5H2/t8-/m1/s1
InChIKeyPVXMYPUUDZBQOA-MRVPVSSYSA-N
MW216.64 g/mol
LogP1.53
Rot. Bonds1

About (3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine

(3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine (PubChem CID 130647727) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is (3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine
PubChem CID130647727
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name(3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine
SMILESFc1ncc([C@H]2COCCN2)cc1Cl
InChIInChI=1S/C9H10ClFN2O/c10-7-3-6(4-13-9(7)11)8-5-14-2-1-12-8/h3-4,8,12H,1-2,5H2/t8-/m1/s1
InChIKeyPVXMYPUUDZBQOA-MRVPVSSYSA-N
XLogP1.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 51.53
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 (3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine?
The IUPAC name of (3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine (CID 130647727) is (3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine.
What is the SMILES notation for (3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine?
The canonical SMILES for (3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine is Fc1ncc([C@H]2COCCN2)cc1Cl.
What is the InChIKey of (3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine?
The InChIKey is PVXMYPUUDZBQOA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c10-7-3-6(4-13-9(7)11)8-5-14-2-1-12-8/h3-4,8,12H,1-2,5H2/t8-/m1/s1.
What are the key properties of (3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine?
(3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine has a molecular weight of 216.64 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine is sourced from PubChem (CID 130647727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).