4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde

C12H8ClNOS — CID 114863609

IUPAC4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde
SMILESO=Cc1ccc(Cl)cc1Sc1ccccn1
InChIInChI=1S/C12H8ClNOS/c13-10-5-4-9(8-15)11(7-10)16-12-3-1-2-6-14-12/h1-8H
InChIKeyZOTSOKFUSHUHAA-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.70
Rot. Bonds3

About 4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde

4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde (PubChem CID 114863609) has the molecular formula C12H8ClNOS and a molecular weight of 249.72 g/mol. Its IUPAC name is 4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde.

Molecular Properties

Compound Name4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde
PubChem CID114863609
Molecular FormulaC12H8ClNOS
Molecular Weight249.72 g/mol
Exact Mass249.00
IUPAC Name4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde
SMILESO=Cc1ccc(Cl)cc1Sc1ccccn1
InChIInChI=1S/C12H8ClNOS/c13-10-5-4-9(8-15)11(7-10)16-12-3-1-2-6-14-12/h1-8H
InChIKeyZOTSOKFUSHUHAA-UHFFFAOYSA-N
XLogP3.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde
CID 114863746
4-chloro-2-pyridin-2-ylsulfanylbenzoic acid
CID 63083040
5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde
CID 63803028
N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864071
4-chloro-2-(3-methylphenyl)sulfanylbenzaldehyde
CID 114863720
5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde
CID 114863747
3,5-difluoro-4-pyridin-2-ylsulfanylbenzaldehyde
CID 63803191
4-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde
CID 114863636
4-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzaldehyde
CID 103290707
5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555
4-chloro-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzaldehyde
CID 137005032
2-pyrazin-2-ylsulfanylbenzaldehyde
CID 63802069

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde?
The IUPAC name of 4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde (CID 114863609) is 4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde.
What is the SMILES notation for 4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde?
The canonical SMILES for 4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde is O=Cc1ccc(Cl)cc1Sc1ccccn1.
What is the InChIKey of 4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde?
The InChIKey is ZOTSOKFUSHUHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNOS/c13-10-5-4-9(8-15)11(7-10)16-12-3-1-2-6-14-12/h1-8H.
What are the key properties of 4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde?
4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde has a molecular weight of 249.72 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde is sourced from PubChem (CID 114863609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).