2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine

C10H6Cl2N2S — CID 1202610

IUPAC2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine
SMILESClc1ncccc1Sc1cccnc1Cl
InChIInChI=1S/C10H6Cl2N2S/c11-9-7(3-1-5-13-9)15-8-4-2-6-14-10(8)12/h1-6H
InChIKeyZZCSWIBNYHGPNO-UHFFFAOYSA-N
MW257.15 g/mol
LogP3.93
Rot. Bonds2

About 2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine

2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine (PubChem CID 1202610) has the molecular formula C10H6Cl2N2S and a molecular weight of 257.15 g/mol. Its IUPAC name is 2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine
PubChem CID1202610
Molecular FormulaC10H6Cl2N2S
Molecular Weight257.15 g/mol
Exact Mass255.96
IUPAC Name2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine
SMILESClc1ncccc1Sc1cccnc1Cl
InChIInChI=1S/C10H6Cl2N2S/c11-9-7(3-1-5-13-9)15-8-4-2-6-14-10(8)12/h1-6H
InChIKeyZZCSWIBNYHGPNO-UHFFFAOYSA-N
XLogP3.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 53.93
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-(Phenylsulfanyl)pyridine
CID 3813610
4,4'-Dipyridyl Sulfide
CID 604650
3-[(4-Chlorophenyl)sulfanyl]isonicotinonitrile
CID 1476754
2-Chloro-5-(piperidine-1-sulfonyl)-pyridine
CID 2433201
2,2'-Thiodipyridine
CID 521114
Bis[5-chloropyridin-2-yl] disulfide
CID 264038
3-pyridinethiol, zinc salt
CID 28314
2-Chloro-5-((difluoromethyl)sulfanyl)pyridine
CID 132522704
2-Chloro-3-(ethanesulfonyl)pyridine
CID 15324913
2-Chloro-5-(methylthio)pyridine
CID 23436923
2-(4-Chlorophenyl)sulfanylpyridine;hydrochloride
CID 23723186
9,10-Dithia-1,5-diaza-anthracene
CID 331658

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine?
The IUPAC name of 2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine (CID 1202610) is 2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine?
The canonical SMILES for 2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine is Clc1ncccc1Sc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine?
The InChIKey is ZZCSWIBNYHGPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2S/c11-9-7(3-1-5-13-9)15-8-4-2-6-14-10(8)12/h1-6H.
What are the key properties of 2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine?
2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine has a molecular weight of 257.15 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyridine is sourced from PubChem (CID 1202610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).