2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine

C11H9ClN2S — CID 819435

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine
SMILESCc1ccnc(Sc2ncccc2Cl)c1
InChIInChI=1S/C11H9ClN2S/c1-8-4-6-13-10(7-8)15-11-9(12)3-2-5-14-11/h2-7H,1H3
InChIKeyOXOQNNWMWUFUMQ-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.59
Rot. Bonds2

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine

2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine (PubChem CID 819435) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine
PubChem CID819435
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine
SMILESCc1ccnc(Sc2ncccc2Cl)c1
InChIInChI=1S/C11H9ClN2S/c1-8-4-6-13-10(7-8)15-11-9(12)3-2-5-14-11/h2-7H,1H3
InChIKeyOXOQNNWMWUFUMQ-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride
CID 163333008
4-methyl-2-pyridin-2-ylsulfanylpyridine
CID 91863117
2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
CID 91252009
2-[(3-chloro-2-pyridinyl)sulfanyl]-5-methylbenzonitrile
CID 107930995
4-[(3-chloro-2-pyridinyl)sulfanyl]aniline
CID 61370219
3-[(3-chloro-2-pyridinyl)sulfanyl]phenol
CID 104590879
4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine
CID 113401115
2,3,5-trichloro-6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine
CID 102752380
(1R)-1-[3-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]ethanamine
CID 78992849
6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine
CID 80946945
1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80645106
ethane;methanol;4-methyl-2-methylsulfanylpyridine
CID 178057256

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine (CID 819435) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine is Cc1ccnc(Sc2ncccc2Cl)c1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine?
The InChIKey is OXOQNNWMWUFUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c1-8-4-6-13-10(7-8)15-11-9(12)3-2-5-14-11/h2-7H,1H3.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine?
2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine has a molecular weight of 236.73 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine is sourced from PubChem (CID 819435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).