2,3-dichloro-4-phenylsulfanylpyridine

C11H7Cl2NS — CID 139167469

IUPAC2,3-dichloro-4-phenylsulfanylpyridine
SMILESClc1nccc(Sc2ccccc2)c1Cl
InChIInChI=1S/C11H7Cl2NS/c12-10-9(6-7-14-11(10)13)15-8-4-2-1-3-5-8/h1-7H
InChIKeyQCIMWHGHCFXFEI-UHFFFAOYSA-N
MW256.16 g/mol
LogP4.54
Rot. Bonds2

About 2,3-dichloro-4-phenylsulfanylpyridine

2,3-dichloro-4-phenylsulfanylpyridine (PubChem CID 139167469) has the molecular formula C11H7Cl2NS and a molecular weight of 256.16 g/mol. Its IUPAC name is 2,3-dichloro-4-phenylsulfanylpyridine.

Molecular Properties

Compound Name2,3-dichloro-4-phenylsulfanylpyridine
PubChem CID139167469
Molecular FormulaC11H7Cl2NS
Molecular Weight256.16 g/mol
Exact Mass254.97
IUPAC Name2,3-dichloro-4-phenylsulfanylpyridine
SMILESClc1nccc(Sc2ccccc2)c1Cl
InChIInChI=1S/C11H7Cl2NS/c12-10-9(6-7-14-11(10)13)15-8-4-2-1-3-5-8/h1-7H
InChIKeyQCIMWHGHCFXFEI-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 54.54
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-bromo-2-chloro-3-phenylsulfanylpyridine
CID 88540747
N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515125
2,3-bis(phenylsulfanyl)pyrazine
CID 86197506
3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine
CID 150221933
CID 160573675
CID 160573675
3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde
CID 10490873
4-chloro-6-phenylsulfanyl-5-propan-2-ylpyrimidine
CID 55229898
CID 66690055
CID 66690055
7-methoxy-4-phenylsulfanylquinoline
CID 59598389
4-chloro-6-phenylsulfanylpyrimidin-5-amine
CID 11637278
dichlororuthenium;phenylsulfanylbenzene
CID 18541858
2,3-dichloro-4-methylpyridine
CID 18930251

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-phenylsulfanylpyridine?
The IUPAC name of 2,3-dichloro-4-phenylsulfanylpyridine (CID 139167469) is 2,3-dichloro-4-phenylsulfanylpyridine.
What is the SMILES notation for 2,3-dichloro-4-phenylsulfanylpyridine?
The canonical SMILES for 2,3-dichloro-4-phenylsulfanylpyridine is Clc1nccc(Sc2ccccc2)c1Cl.
What is the InChIKey of 2,3-dichloro-4-phenylsulfanylpyridine?
The InChIKey is QCIMWHGHCFXFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NS/c12-10-9(6-7-14-11(10)13)15-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2,3-dichloro-4-phenylsulfanylpyridine?
2,3-dichloro-4-phenylsulfanylpyridine has a molecular weight of 256.16 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-phenylsulfanylpyridine is sourced from PubChem (CID 139167469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).