3-chloro-2-(2-chloroethylsulfanyl)pyridine

C7H7Cl2NS — CID 43446290

IUPAC3-chloro-2-(2-chloroethylsulfanyl)pyridine
SMILESClCCSc1ncccc1Cl
InChIInChI=1S/C7H7Cl2NS/c8-3-5-11-7-6(9)2-1-4-10-7/h1-2,4H,3,5H2
InChIKeyOGZCUJDSQSDZIT-UHFFFAOYSA-N
MW208.11 g/mol
LogP3.07
Rot. Bonds3

About 3-chloro-2-(2-chloroethylsulfanyl)pyridine

3-chloro-2-(2-chloroethylsulfanyl)pyridine (PubChem CID 43446290) has the molecular formula C7H7Cl2NS and a molecular weight of 208.11 g/mol. Its IUPAC name is 3-chloro-2-(2-chloroethylsulfanyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2-chloroethylsulfanyl)pyridine
PubChem CID43446290
Molecular FormulaC7H7Cl2NS
Molecular Weight208.11 g/mol
Exact Mass206.97
IUPAC Name3-chloro-2-(2-chloroethylsulfanyl)pyridine
SMILESClCCSc1ncccc1Cl
InChIInChI=1S/C7H7Cl2NS/c8-3-5-11-7-6(9)2-1-4-10-7/h1-2,4H,3,5H2
InChIKeyOGZCUJDSQSDZIT-UHFFFAOYSA-N
XLogP3.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine
CID 43446306
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821551
1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol
CID 64813224
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
CID 64631084
3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine
CID 64537037
3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine
CID 131182823
3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
CID 47129961
3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 47154150
3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide
CID 134012279
1-[(3-chloro-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol
CID 65212251
3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine
CID 78846715

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-chloroethylsulfanyl)pyridine?
The IUPAC name of 3-chloro-2-(2-chloroethylsulfanyl)pyridine (CID 43446290) is 3-chloro-2-(2-chloroethylsulfanyl)pyridine.
What is the SMILES notation for 3-chloro-2-(2-chloroethylsulfanyl)pyridine?
The canonical SMILES for 3-chloro-2-(2-chloroethylsulfanyl)pyridine is ClCCSc1ncccc1Cl.
What is the InChIKey of 3-chloro-2-(2-chloroethylsulfanyl)pyridine?
The InChIKey is OGZCUJDSQSDZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NS/c8-3-5-11-7-6(9)2-1-4-10-7/h1-2,4H,3,5H2.
What are the key properties of 3-chloro-2-(2-chloroethylsulfanyl)pyridine?
3-chloro-2-(2-chloroethylsulfanyl)pyridine has a molecular weight of 208.11 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-chloroethylsulfanyl)pyridine is sourced from PubChem (CID 43446290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).