pyridin-3-ylmethanesulfinyl chloride

C6H6ClNOS — CID 143860188

IUPACpyridin-3-ylmethanesulfinyl chloride
SMILESO=S(Cl)Cc1cccnc1
InChIInChI=1S/C6H6ClNOS/c7-10(9)5-6-2-1-3-8-4-6/h1-4H,5H2
InChIKeyYLYPHSXXSZYGSM-UHFFFAOYSA-N
MW175.64 g/mol
LogP1.48
Rot. Bonds2

About pyridin-3-ylmethanesulfinyl chloride

pyridin-3-ylmethanesulfinyl chloride (PubChem CID 143860188) has the molecular formula C6H6ClNOS and a molecular weight of 175.64 g/mol. Its IUPAC name is pyridin-3-ylmethanesulfinyl chloride.

Molecular Properties

Compound Namepyridin-3-ylmethanesulfinyl chloride
PubChem CID143860188
Molecular FormulaC6H6ClNOS
Molecular Weight175.64 g/mol
Exact Mass174.99
IUPAC Namepyridin-3-ylmethanesulfinyl chloride
SMILESO=S(Cl)Cc1cccnc1
InChIInChI=1S/C6H6ClNOS/c7-10(9)5-6-2-1-3-8-4-6/h1-4H,5H2
InChIKeyYLYPHSXXSZYGSM-UHFFFAOYSA-N
XLogP1.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
CID 62111987
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
CID 61369062
pyridin-3-ylmethanesulfonyl chloride
CID 4658302
pyridin-3-ylmethyl sulfite
CID 56985021
2-pyridin-3-ylacetyl chloride
CID 14697475
3,5-difluoro-4-(pyridin-3-ylmethylsulfinyl)aniline
CID 61369616
3-ethylpyridine
CID 10823
bis(pyridin-3-ylmethyl)azanium
CID 6946562
5-bromo-2-(pyridin-3-ylmethylsulfinyl)aniline
CID 81184377
2-amino-4-methyl-1-(pyridin-3-ylmethylsulfinyl)pentan-3-one
CID 142239660
3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine
CID 97166301

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethanesulfinyl chloride?
The IUPAC name of pyridin-3-ylmethanesulfinyl chloride (CID 143860188) is pyridin-3-ylmethanesulfinyl chloride.
What is the SMILES notation for pyridin-3-ylmethanesulfinyl chloride?
The canonical SMILES for pyridin-3-ylmethanesulfinyl chloride is O=S(Cl)Cc1cccnc1.
What is the InChIKey of pyridin-3-ylmethanesulfinyl chloride?
The InChIKey is YLYPHSXXSZYGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNOS/c7-10(9)5-6-2-1-3-8-4-6/h1-4H,5H2.
What are the key properties of pyridin-3-ylmethanesulfinyl chloride?
pyridin-3-ylmethanesulfinyl chloride has a molecular weight of 175.64 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethanesulfinyl chloride is sourced from PubChem (CID 143860188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).