5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde

C12H7Cl2NOS — CID 114863747

IUPAC5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde
SMILESO=Cc1cc(Cl)ccc1Sc1ncccc1Cl
InChIInChI=1S/C12H7Cl2NOS/c13-9-3-4-11(8(6-9)7-16)17-12-10(14)2-1-5-15-12/h1-7H
InChIKeyWKUCYVFYCJNGER-UHFFFAOYSA-N
MW284.17 g/mol
LogP4.35
Rot. Bonds3

About 5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde

5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde (PubChem CID 114863747) has the molecular formula C12H7Cl2NOS and a molecular weight of 284.17 g/mol. Its IUPAC name is 5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde
PubChem CID114863747
Molecular FormulaC12H7Cl2NOS
Molecular Weight284.17 g/mol
Exact Mass282.96
IUPAC Name5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde
SMILESO=Cc1cc(Cl)ccc1Sc1ncccc1Cl
InChIInChI=1S/C12H7Cl2NOS/c13-9-3-4-11(8(6-9)7-16)17-12-10(14)2-1-5-15-12/h1-7H
InChIKeyWKUCYVFYCJNGER-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

1-[5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]-N-methylmethanamine
CID 114864925
N-[[5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 114864921
2-[4-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]ethanamine
CID 114866444
(E)-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]prop-2-enamide
CID 170876723
2-[2-(aminomethyl)-3,4-dichlorophenyl]sulfanylpyridine-3-carbaldehyde
CID 129079194
5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde
CID 18668911
5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde
CID 114863766
4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde
CID 114863609
(1S)-1-[4-[(3-chloro-2-pyridinyl)sulfanyl]-3-fluorophenyl]ethanamine
CID 78992850
3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine
CID 170878302
(1R)-1-[3-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]ethanamine
CID 78992849
2-[(3-chloro-2-pyridinyl)sulfanyl]-5-methylbenzonitrile
CID 107930995

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde?
The IUPAC name of 5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde (CID 114863747) is 5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde.
What is the SMILES notation for 5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde?
The canonical SMILES for 5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde is O=Cc1cc(Cl)ccc1Sc1ncccc1Cl.
What is the InChIKey of 5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde?
The InChIKey is WKUCYVFYCJNGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NOS/c13-9-3-4-11(8(6-9)7-16)17-12-10(14)2-1-5-15-12/h1-7H.
What are the key properties of 5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde?
5-chloro-2-[(3-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 5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde is sourced from PubChem (CID 114863747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).