5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde

C11H13NOS — CID 137382844

IUPAC5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde
SMILESCCSc1cc(C2CC2)cnc1C=O
InChIInChI=1S/C11H13NOS/c1-2-14-11-5-9(8-3-4-8)6-12-10(11)7-13/h5-8H,2-4H2,1H3
InChIKeyWLBUKCBSQUEKCZ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.88
Rot. Bonds4

About 5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde

5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde (PubChem CID 137382844) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde
PubChem CID137382844
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde
SMILESCCSc1cc(C2CC2)cnc1C=O
InChIInChI=1S/C11H13NOS/c1-2-14-11-5-9(8-3-4-8)6-12-10(11)7-13/h5-8H,2-4H2,1H3
InChIKeyWLBUKCBSQUEKCZ-UHFFFAOYSA-N
XLogP2.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.88
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 5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde?
The IUPAC name of 5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde (CID 137382844) is 5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde.
What is the SMILES notation for 5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde?
The canonical SMILES for 5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde is CCSc1cc(C2CC2)cnc1C=O.
What is the InChIKey of 5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde?
The InChIKey is WLBUKCBSQUEKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-2-14-11-5-9(8-3-4-8)6-12-10(11)7-13/h5-8H,2-4H2,1H3.
What are the key properties of 5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde?
5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde has a molecular weight of 207.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde is sourced from PubChem (CID 137382844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).