4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde

C12H7Cl2NOS — CID 114863746

IUPAC4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde
SMILESO=Cc1ccc(Cl)cc1Sc1ccc(Cl)cn1
InChIInChI=1S/C12H7Cl2NOS/c13-9-2-1-8(7-16)11(5-9)17-12-4-3-10(14)6-15-12/h1-7H
InChIKeyOMUCIWRUKJASEQ-UHFFFAOYSA-N
MW284.17 g/mol
LogP4.35
Rot. Bonds3

About 4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde

4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde (PubChem CID 114863746) has the molecular formula C12H7Cl2NOS and a molecular weight of 284.17 g/mol. Its IUPAC name is 4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde
PubChem CID114863746
Molecular FormulaC12H7Cl2NOS
Molecular Weight284.17 g/mol
Exact Mass282.96
IUPAC Name4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde
SMILESO=Cc1ccc(Cl)cc1Sc1ccc(Cl)cn1
InChIInChI=1S/C12H7Cl2NOS/c13-9-2-1-8(7-16)11(5-9)17-12-4-3-10(14)6-15-12/h1-7H
InChIKeyOMUCIWRUKJASEQ-UHFFFAOYSA-N
XLogP4.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 54.35
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-pyridin-2-ylsulfanylbenzaldehyde
CID 114863609
4-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde
CID 114863636
5-chloro-2-(2-chlorophenyl)sulfanylpyridine
CID 66218398
4-bromo-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzaldehyde
CID 63803366
4-chloro-2-(3-methylphenyl)sulfanylbenzaldehyde
CID 114863720
4-chloro-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzaldehyde
CID 137005032
6-(2,5-dichlorophenyl)sulfanylpyridine-3-carboxylic acid
CID 29035627
4-chloro-2-(2,3-dihydroxypropylsulfanyl)benzaldehyde
CID 114863763
4-chloro-2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 114863676
5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine
CID 163687484
5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
CID 79336533
2-[4-chloro-2-[(5-methyl-2-pyridinyl)sulfanyl]phenoxy]acetic acid
CID 143006236

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde?
The IUPAC name of 4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde (CID 114863746) is 4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde.
What is the SMILES notation for 4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde?
The canonical SMILES for 4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde is O=Cc1ccc(Cl)cc1Sc1ccc(Cl)cn1.
What is the InChIKey of 4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde?
The InChIKey is OMUCIWRUKJASEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NOS/c13-9-2-1-8(7-16)11(5-9)17-12-4-3-10(14)6-15-12/h1-7H.
What are the key properties of 4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde?
4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde has a molecular weight of 284.17 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde is sourced from PubChem (CID 114863746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).