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

C10H12ClFN2S — CID 79728512

IUPAC4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylthiomorpholine
SMILESCC1CSCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2S/c1-7-6-15-3-2-14(7)10-9(12)4-8(11)5-13-10/h4-5,7H,2-3,6H2,1H3
InChIKeyICUGDBBPSGXMQT-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.82
Rot. Bonds1

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

4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylthiomorpholine (PubChem CID 79728512) has the molecular formula C10H12ClFN2S and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylthiomorpholine.

Molecular Properties

Compound Name4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylthiomorpholine
PubChem CID79728512
Molecular FormulaC10H12ClFN2S
Molecular Weight246.74 g/mol
Exact Mass246.04
IUPAC Name4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylthiomorpholine
SMILESCC1CSCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2S/c1-7-6-15-3-2-14(7)10-9(12)4-8(11)5-13-10/h4-5,7H,2-3,6H2,1H3
InChIKeyICUGDBBPSGXMQT-UHFFFAOYSA-N
XLogP2.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylthiomorpholine?
The IUPAC name of 4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylthiomorpholine (CID 79728512) is 4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylthiomorpholine.
What is the SMILES notation for 4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylthiomorpholine?
The canonical SMILES for 4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylthiomorpholine is CC1CSCCN1c1ncc(Cl)cc1F.
What is the InChIKey of 4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylthiomorpholine?
The InChIKey is ICUGDBBPSGXMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2S/c1-7-6-15-3-2-14(7)10-9(12)4-8(11)5-13-10/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylthiomorpholine?
4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylthiomorpholine has a molecular weight of 246.74 g/mol, XLogP of 2.82, 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)-3-methylthiomorpholine is sourced from PubChem (CID 79728512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).