5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine

C10H14ClNS — CID 107754025

IUPAC5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine
SMILESCC(C)C(C)Sc1ccc(Cl)cn1
InChIInChI=1S/C10H14ClNS/c1-7(2)8(3)13-10-5-4-9(11)6-12-10/h4-8H,1-3H3
InChIKeyAZBYIVJKEUCSJU-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.87
Rot. Bonds3

About 5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine

5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine (PubChem CID 107754025) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine
PubChem CID107754025
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine
SMILESCC(C)C(C)Sc1ccc(Cl)cn1
InChIInChI=1S/C10H14ClNS/c1-7(2)8(3)13-10-5-4-9(11)6-12-10/h4-8H,1-3H3
InChIKeyAZBYIVJKEUCSJU-UHFFFAOYSA-N
XLogP3.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
CID 79405258
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64629043
[6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol
CID 107762118
5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
CID 112832335
2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 64631469
2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 20674333
2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid
CID 79357437
ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 91356772
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanoic acid
CID 64703368
5-chloro-2-(2-chlorophenyl)sulfanylpyridine
CID 66218398
2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide
CID 112815816
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide
CID 64703761

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine?
The IUPAC name of 5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine (CID 107754025) is 5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine.
What is the SMILES notation for 5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine?
The canonical SMILES for 5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine is CC(C)C(C)Sc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine?
The InChIKey is AZBYIVJKEUCSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-7(2)8(3)13-10-5-4-9(11)6-12-10/h4-8H,1-3H3.
What are the key properties of 5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine?
5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine has a molecular weight of 215.75 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine is sourced from PubChem (CID 107754025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).