2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine

C12H9Cl2NS — CID 19590526

IUPAC2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine
SMILESClc1cccc(CSc2ccccn2)c1Cl
InChIInChI=1S/C12H9Cl2NS/c13-10-5-3-4-9(12(10)14)8-16-11-6-1-2-7-15-11/h1-7H,8H2
InChIKeyZGWHCSOLOQHGNP-UHFFFAOYSA-N
MW270.18 g/mol
LogP4.68
Rot. Bonds3

About 2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine

2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine (PubChem CID 19590526) has the molecular formula C12H9Cl2NS and a molecular weight of 270.18 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine
PubChem CID19590526
Molecular FormulaC12H9Cl2NS
Molecular Weight270.18 g/mol
Exact Mass268.98
IUPAC Name2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine
SMILESClc1cccc(CSc2ccccn2)c1Cl
InChIInChI=1S/C12H9Cl2NS/c13-10-5-3-4-9(12(10)14)8-16-11-6-1-2-7-15-11/h1-7H,8H2
InChIKeyZGWHCSOLOQHGNP-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

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Related Compounds

3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine
CID 107306654
2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine
CID 62046671
2-[[2,4,6-trimethyl-3,5-bis(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine
CID 11329310
pyridin-2-ylsulfanylmethylboronic acid
CID 53216397
1,2-dichloro-3-(2-phenylethyl)benzene
CID 139886984
5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
CID 103059734
1,2-dichloro-3-(2-phenoxyethyl)benzene
CID 91220321
3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine
CID 2766735
2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine
CID 21406924
3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
CID 47129961
[3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine
CID 114484730

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine?
The IUPAC name of 2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine (CID 19590526) is 2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine is Clc1cccc(CSc2ccccn2)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine?
The InChIKey is ZGWHCSOLOQHGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NS/c13-10-5-3-4-9(12(10)14)8-16-11-6-1-2-7-15-11/h1-7H,8H2.
What are the key properties of 2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine?
2-[(2,3-dichlorophenyl)methylsulfanyl]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-[(2,3-dichlorophenyl)methylsulfanyl]pyridine is sourced from PubChem (CID 19590526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).