2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine

C10H6Cl3NOS — CID 102752209

IUPAC2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine
SMILESClc1cc(Cl)c(SCc2ccco2)nc1Cl
InChIInChI=1S/C10H6Cl3NOS/c11-7-4-8(12)10(14-9(7)13)16-5-6-2-1-3-15-6/h1-4H,5H2
InChIKeyYPNOYAWRQQBXBY-UHFFFAOYSA-N
MW294.59 g/mol
LogP4.93
Rot. Bonds3

About 2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine

2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine (PubChem CID 102752209) has the molecular formula C10H6Cl3NOS and a molecular weight of 294.59 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine
PubChem CID102752209
Molecular FormulaC10H6Cl3NOS
Molecular Weight294.59 g/mol
Exact Mass292.92
IUPAC Name2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine
SMILESClc1cc(Cl)c(SCc2ccco2)nc1Cl
InChIInChI=1S/C10H6Cl3NOS/c11-7-4-8(12)10(14-9(7)13)16-5-6-2-1-3-15-6/h1-4H,5H2
InChIKeyYPNOYAWRQQBXBY-UHFFFAOYSA-N
XLogP4.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.59
LogP ≤ 54.93
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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Related Compounds

3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine
CID 102761283
1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine
CID 62142545
5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 80893486
2-chloro-3-(furan-2-ylmethylsulfanylmethyl)quinoline
CID 60652149
2-(furan-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658664
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
CID 80545886
2-[(2,3-dichlorophenyl)sulfanylmethyl]furan
CID 173213846
2,3,5-trichloro-6-(furan-2-yl)pyridine
CID 102752579
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80990415
2-(furan-2-ylmethylsulfanyl)benzaldehyde
CID 63803722
4-chloro-2-(furan-2-ylmethylsulfanyl)aniline
CID 79528052
5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 113360932

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine (CID 102752209) is 2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine is Clc1cc(Cl)c(SCc2ccco2)nc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine?
The InChIKey is YPNOYAWRQQBXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3NOS/c11-7-4-8(12)10(14-9(7)13)16-5-6-2-1-3-15-6/h1-4H,5H2.
What are the key properties of 2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine?
2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine has a molecular weight of 294.59 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine is sourced from PubChem (CID 102752209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).