4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine

C10H12ClFN2S — CID 87578088

IUPAC4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine
SMILESFc1nc(Cl)ccc1CN1CCSCC1
InChIInChI=1S/C10H12ClFN2S/c11-9-2-1-8(10(12)13-9)7-14-3-5-15-6-4-14/h1-2H,3-7H2
InChIKeyUACWQSAEORMJGX-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.42
Rot. Bonds2

About 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine

4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine (PubChem CID 87578088) has the molecular formula C10H12ClFN2S and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine
PubChem CID87578088
Molecular FormulaC10H12ClFN2S
Molecular Weight246.74 g/mol
Exact Mass246.04
IUPAC Name4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine
SMILESFc1nc(Cl)ccc1CN1CCSCC1
InChIInChI=1S/C10H12ClFN2S/c11-9-2-1-8(10(12)13-9)7-14-3-5-15-6-4-14/h1-2H,3-7H2
InChIKeyUACWQSAEORMJGX-UHFFFAOYSA-N
XLogP2.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.42
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-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine?
The IUPAC name of 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine (CID 87578088) is 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine is Fc1nc(Cl)ccc1CN1CCSCC1.
What is the InChIKey of 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine?
The InChIKey is UACWQSAEORMJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2S/c11-9-2-1-8(10(12)13-9)7-14-3-5-15-6-4-14/h1-2H,3-7H2.
What are the key properties of 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine?
4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine has a molecular weight of 246.74 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine is sourced from PubChem (CID 87578088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).