4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine

C10H12Cl2N2S — CID 62893021

IUPAC4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine
SMILESClc1ccc(Cl)c(CN2CCSCC2)n1
InChIInChI=1S/C10H12Cl2N2S/c11-8-1-2-10(12)13-9(8)7-14-3-5-15-6-4-14/h1-2H,3-7H2
InChIKeyWZSXZUYJFAVXHO-UHFFFAOYSA-N
MW263.19 g/mol
LogP2.94
Rot. Bonds2

About 4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine

4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine (PubChem CID 62893021) has the molecular formula C10H12Cl2N2S and a molecular weight of 263.19 g/mol. Its IUPAC name is 4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine
PubChem CID62893021
Molecular FormulaC10H12Cl2N2S
Molecular Weight263.19 g/mol
Exact Mass262.01
IUPAC Name4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine
SMILESClc1ccc(Cl)c(CN2CCSCC2)n1
InChIInChI=1S/C10H12Cl2N2S/c11-8-1-2-10(12)13-9(8)7-14-3-5-15-6-4-14/h1-2H,3-7H2
InChIKeyWZSXZUYJFAVXHO-UHFFFAOYSA-N
XLogP2.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 52.94
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-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine?
The IUPAC name of 4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine (CID 62893021) is 4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine is Clc1ccc(Cl)c(CN2CCSCC2)n1.
What is the InChIKey of 4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine?
The InChIKey is WZSXZUYJFAVXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2S/c11-8-1-2-10(12)13-9(8)7-14-3-5-15-6-4-14/h1-2H,3-7H2.
What are the key properties of 4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine?
4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine has a molecular weight of 263.19 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine is sourced from PubChem (CID 62893021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).