6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde

C11H15NOS — CID 102546448

IUPAC6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde
SMILESCc1nc(SC(C)(C)C)ccc1C=O
InChIInChI=1S/C11H15NOS/c1-8-9(7-13)5-6-10(12-8)14-11(2,3)4/h5-7H,1-4H3
InChIKeyWQIVPQQXNHPJOI-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.09
Rot. Bonds2

About 6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde

6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde (PubChem CID 102546448) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde
PubChem CID102546448
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde
SMILESCc1nc(SC(C)(C)C)ccc1C=O
InChIInChI=1S/C11H15NOS/c1-8-9(7-13)5-6-10(12-8)14-11(2,3)4/h5-7H,1-4H3
InChIKeyWQIVPQQXNHPJOI-UHFFFAOYSA-N
XLogP3.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde (CID 102546448) is 6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde is Cc1nc(SC(C)(C)C)ccc1C=O.
What is the InChIKey of 6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde?
The InChIKey is WQIVPQQXNHPJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-9(7-13)5-6-10(12-8)14-11(2,3)4/h5-7H,1-4H3.
What are the key properties of 6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde?
6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde has a molecular weight of 209.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfanyl-2-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 102546448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).