4-(5-chloro-6-fluoro-2-pyridinyl)morpholine

C9H10ClFN2O — CID 57475657

IUPAC4-(5-chloro-6-fluoro-2-pyridinyl)morpholine
SMILESFc1nc(N2CCOCC2)ccc1Cl
InChIInChI=1S/C9H10ClFN2O/c10-7-1-2-8(12-9(7)11)13-3-5-14-6-4-13/h1-2H,3-6H2
InChIKeyAXNVWKOWAUXWDU-UHFFFAOYSA-N
MW216.64 g/mol
LogP1.71
Rot. Bonds1

About 4-(5-chloro-6-fluoro-2-pyridinyl)morpholine

4-(5-chloro-6-fluoro-2-pyridinyl)morpholine (PubChem CID 57475657) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 4-(5-chloro-6-fluoro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(5-chloro-6-fluoro-2-pyridinyl)morpholine
PubChem CID57475657
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name4-(5-chloro-6-fluoro-2-pyridinyl)morpholine
SMILESFc1nc(N2CCOCC2)ccc1Cl
InChIInChI=1S/C9H10ClFN2O/c10-7-1-2-8(12-9(7)11)13-3-5-14-6-4-13/h1-2H,3-6H2
InChIKeyAXNVWKOWAUXWDU-UHFFFAOYSA-N
XLogP1.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 51.71
H-Bond Donors ≤ 50
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 4-(5-chloro-6-fluoro-2-pyridinyl)morpholine?
The IUPAC name of 4-(5-chloro-6-fluoro-2-pyridinyl)morpholine (CID 57475657) is 4-(5-chloro-6-fluoro-2-pyridinyl)morpholine.
What is the SMILES notation for 4-(5-chloro-6-fluoro-2-pyridinyl)morpholine?
The canonical SMILES for 4-(5-chloro-6-fluoro-2-pyridinyl)morpholine is Fc1nc(N2CCOCC2)ccc1Cl.
What is the InChIKey of 4-(5-chloro-6-fluoro-2-pyridinyl)morpholine?
The InChIKey is AXNVWKOWAUXWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c10-7-1-2-8(12-9(7)11)13-3-5-14-6-4-13/h1-2H,3-6H2.
What are the key properties of 4-(5-chloro-6-fluoro-2-pyridinyl)morpholine?
4-(5-chloro-6-fluoro-2-pyridinyl)morpholine has a molecular weight of 216.64 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-fluoro-2-pyridinyl)morpholine is sourced from PubChem (CID 57475657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).