2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine

C12H9Cl2NOS — CID 22764667

IUPAC2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine
SMILESO=S(Cc1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C12H9Cl2NOS/c13-10-5-4-9(7-11(10)14)8-17(16)12-3-1-2-6-15-12/h1-7H,8H2
InChIKeyWPZKLHAUFPIUPN-UHFFFAOYSA-N
MW286.18 g/mol
LogP3.70
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine

2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine (PubChem CID 22764667) has the molecular formula C12H9Cl2NOS and a molecular weight of 286.18 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine
PubChem CID22764667
Molecular FormulaC12H9Cl2NOS
Molecular Weight286.18 g/mol
Exact Mass284.98
IUPAC Name2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine
SMILESO=S(Cc1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C12H9Cl2NOS/c13-10-5-4-9(7-11(10)14)8-17(16)12-3-1-2-6-15-12/h1-7H,8H2
InChIKeyWPZKLHAUFPIUPN-UHFFFAOYSA-N
XLogP3.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfinylpyridine
CID 13185049
2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine
CID 61368096
3-[(3,4-dichlorophenyl)methylsulfinyl]aniline
CID 81181088
2-(3-chloropropylsulfinyl)pyridine
CID 20509824
2-pyridin-2-ylsulfinylethanol
CID 54422072
3-[(3,4-dichlorophenyl)methylsulfinyl]-2-methylaniline
CID 81190387
4-[(3,4-dichlorophenyl)methylsulfinyl]-2-fluoroaniline
CID 81190837
3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole
CID 2761339
2-(pyridin-2-ylsulfinylmethyl)benzonitrile
CID 22764706
2-(cyclopropylmethylsulfinyl)pyridine
CID 66803349
4-[(3,4-dichlorophenyl)methylsulfinyl]-3-methylaniline
CID 81192754
1-phenyl-2-pyridin-2-ylsulfinylethanone
CID 11032138

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine (CID 22764667) is 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine is O=S(Cc1ccc(Cl)c(Cl)c1)c1ccccn1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine?
The InChIKey is WPZKLHAUFPIUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NOS/c13-10-5-4-9(7-11(10)14)8-17(16)12-3-1-2-6-15-12/h1-7H,8H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine?
2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine has a molecular weight of 286.18 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine is sourced from PubChem (CID 22764667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).