2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine

C11H10ClNOS — CID 18689992

IUPAC2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine
SMILESClCc1cc(SCc2ccco2)ccn1
InChIInChI=1S/C11H10ClNOS/c12-7-9-6-11(3-4-13-9)15-8-10-2-1-5-14-10/h1-6H,7-8H2
InChIKeyGDSJBHLKCFMDQN-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.71
Rot. Bonds4

About 2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine

2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine (PubChem CID 18689992) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine
PubChem CID18689992
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine
SMILESClCc1cc(SCc2ccco2)ccn1
InChIInChI=1S/C11H10ClNOS/c12-7-9-6-11(3-4-13-9)15-8-10-2-1-5-14-10/h1-6H,7-8H2
InChIKeyGDSJBHLKCFMDQN-UHFFFAOYSA-N
XLogP3.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-4-methylpyridine
CID 91863097
2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)-3-methoxypyridine
CID 22117326
[4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)phenyl]methanamine
CID 43528698
[3-bromo-5-(furan-2-ylmethylsulfanyl)phenyl]methanamine
CID 102818582
5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 68957437
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
CID 80545886
2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine
CID 102752209
5-(furan-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 43243212
1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine
CID 168513833
4-chloro-2-(furan-2-ylmethylsulfanyl)aniline
CID 79528052
2-(3-chloropropyl)furan
CID 12549641
2-(furan-2-ylmethoxy)pyrimidine
CID 125483373

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine?
The IUPAC name of 2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine (CID 18689992) is 2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine?
The canonical SMILES for 2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine is ClCc1cc(SCc2ccco2)ccn1.
What is the InChIKey of 2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine?
The InChIKey is GDSJBHLKCFMDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c12-7-9-6-11(3-4-13-9)15-8-10-2-1-5-14-10/h1-6H,7-8H2.
What are the key properties of 2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine?
2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine has a molecular weight of 239.73 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine is sourced from PubChem (CID 18689992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).