5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol

C10H12ClFN2OS — CID 141351251

IUPAC5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol
SMILESFCC1(c2cccnc2Cl)COCC(S)N1
InChIInChI=1S/C10H12ClFN2OS/c11-9-7(2-1-3-13-9)10(5-12)6-15-4-8(16)14-10/h1-3,8,14,16H,4-6H2
InChIKeyQUJNUSAUXGPUSK-UHFFFAOYSA-N
MW262.74 g/mol
LogP1.78
Rot. Bonds2

About 5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol

5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol (PubChem CID 141351251) has the molecular formula C10H12ClFN2OS and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol.

Molecular Properties

Compound Name5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol
PubChem CID141351251
Molecular FormulaC10H12ClFN2OS
Molecular Weight262.74 g/mol
Exact Mass262.03
IUPAC Name5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol
SMILESFCC1(c2cccnc2Cl)COCC(S)N1
InChIInChI=1S/C10H12ClFN2OS/c11-9-7(2-1-3-13-9)10(5-12)6-15-4-8(16)14-10/h1-3,8,14,16H,4-6H2
InChIKeyQUJNUSAUXGPUSK-UHFFFAOYSA-N
XLogP1.78
TPSA34.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol?
The IUPAC name of 5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol (CID 141351251) is 5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol.
What is the SMILES notation for 5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol?
The canonical SMILES for 5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol is FCC1(c2cccnc2Cl)COCC(S)N1.
What is the InChIKey of 5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol?
The InChIKey is QUJNUSAUXGPUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2OS/c11-9-7(2-1-3-13-9)10(5-12)6-15-4-8(16)14-10/h1-3,8,14,16H,4-6H2.
What are the key properties of 5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol?
5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol has a molecular weight of 262.74 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholine-3-thiol is sourced from PubChem (CID 141351251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).