4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine

C9H10ClFN2S — CID 79728699

IUPAC4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine
SMILESFc1cc(Cl)cnc1N1CCSCC1
InChIInChI=1S/C9H10ClFN2S/c10-7-5-8(11)9(12-6-7)13-1-3-14-4-2-13/h5-6H,1-4H2
InChIKeyNBUXRIZHOWCSBM-UHFFFAOYSA-N
MW232.71 g/mol
LogP2.43
Rot. Bonds1

About 4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine

4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine (PubChem CID 79728699) has the molecular formula C9H10ClFN2S and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine.

Molecular Properties

Compound Name4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine
PubChem CID79728699
Molecular FormulaC9H10ClFN2S
Molecular Weight232.71 g/mol
Exact Mass232.02
IUPAC Name4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine
SMILESFc1cc(Cl)cnc1N1CCSCC1
InChIInChI=1S/C9H10ClFN2S/c10-7-5-8(11)9(12-6-7)13-1-3-14-4-2-13/h5-6H,1-4H2
InChIKeyNBUXRIZHOWCSBM-UHFFFAOYSA-N
XLogP2.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine?
The IUPAC name of 4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine (CID 79728699) is 4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine.
What is the SMILES notation for 4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine?
The canonical SMILES for 4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine is Fc1cc(Cl)cnc1N1CCSCC1.
What is the InChIKey of 4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine?
The InChIKey is NBUXRIZHOWCSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2S/c10-7-5-8(11)9(12-6-7)13-1-3-14-4-2-13/h5-6H,1-4H2.
What are the key properties of 4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine?
4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine has a molecular weight of 232.71 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-fluoro-2-pyridinyl)thiomorpholine is sourced from PubChem (CID 79728699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).