2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine

C12H9Cl2NS — CID 60620513

IUPAC2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine
SMILESClc1cccc(SCc2ccc(Cl)nc2)c1
InChIInChI=1S/C12H9Cl2NS/c13-10-2-1-3-11(6-10)16-8-9-4-5-12(14)15-7-9/h1-7H,8H2
InChIKeyRLAWHILVHOLPNT-UHFFFAOYSA-N
MW270.18 g/mol
LogP4.68
Rot. Bonds3

About 2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine

2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine (PubChem CID 60620513) has the molecular formula C12H9Cl2NS and a molecular weight of 270.18 g/mol. Its IUPAC name is 2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine
PubChem CID60620513
Molecular FormulaC12H9Cl2NS
Molecular Weight270.18 g/mol
Exact Mass268.98
IUPAC Name2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine
SMILESClc1cccc(SCc2ccc(Cl)nc2)c1
InChIInChI=1S/C12H9Cl2NS/c13-10-2-1-3-11(6-10)16-8-9-4-5-12(14)15-7-9/h1-7H,8H2
InChIKeyRLAWHILVHOLPNT-UHFFFAOYSA-N
XLogP4.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[(3-chlorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62646506
[2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol
CID 66148333
4-[(6-chloro-3-pyridinyl)methylsulfanyl]aniline
CID 20537892
3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine
CID 104514370
2-chloro-5-[(6-chloro-3-pyridinyl)methylsulfanyl]benzoic acid
CID 113371628
3,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]pyridine
CID 63539043
4-[(3-chlorophenyl)sulfanylmethyl]benzonitrile
CID 62646634
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine
CID 60716308
4-[(6-chloro-3-pyridinyl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79150086
1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene
CID 139659055
1-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657412
2-chloro-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]pyridine
CID 47140824

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine?
The IUPAC name of 2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine (CID 60620513) is 2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine is Clc1cccc(SCc2ccc(Cl)nc2)c1.
What is the InChIKey of 2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine?
The InChIKey is RLAWHILVHOLPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NS/c13-10-2-1-3-11(6-10)16-8-9-4-5-12(14)15-7-9/h1-7H,8H2.
What are the key properties of 2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine?
2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine has a molecular weight of 270.18 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 60620513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).