3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde

C12H8ClNOS — CID 10490873

IUPAC3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cncc1Sc1ccccc1
InChIInChI=1S/C12H8ClNOS/c13-11-6-14-7-12(10(11)8-15)16-9-4-2-1-3-5-9/h1-8H
InChIKeyUXVJXVMNQCBBJY-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.70
Rot. Bonds3

About 3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde

3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde (PubChem CID 10490873) has the molecular formula C12H8ClNOS and a molecular weight of 249.72 g/mol. Its IUPAC name is 3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde
PubChem CID10490873
Molecular FormulaC12H8ClNOS
Molecular Weight249.72 g/mol
Exact Mass249.00
IUPAC Name3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cncc1Sc1ccccc1
InChIInChI=1S/C12H8ClNOS/c13-11-6-14-7-12(10(11)8-15)16-9-4-2-1-3-5-9/h1-8H
InChIKeyUXVJXVMNQCBBJY-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

3-chloro-5-(2-methylphenyl)sulfanylpyridine-4-carbaldehyde
CID 10801525
3,5-dichloropyridine-4-carbaldehyde
CID 2762988
4-phenylsulfanylisoquinoline
CID 3771316
2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde
CID 59509334
3-chloro-5-ethylpyridine-4-carbaldehyde
CID 170993145
3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde
CID 134635841
2,3-dichloro-4-phenylsulfanylpyridine
CID 139167469
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134626254
3-methyl-1-phenyl-5-phenylsulfanylpyrazole-4-carbaldehyde
CID 20983399
4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde
CID 1477244
4-methyl-2-phenylsulfanylbenzaldehyde
CID 86250344
5-bromo-2-chloro-3-phenylsulfanylpyridine
CID 88540747

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde (CID 10490873) is 3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde is O=Cc1c(Cl)cncc1Sc1ccccc1.
What is the InChIKey of 3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde?
The InChIKey is UXVJXVMNQCBBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNOS/c13-11-6-14-7-12(10(11)8-15)16-9-4-2-1-3-5-9/h1-8H.
What are the key properties of 3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde?
3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde 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 3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde is sourced from PubChem (CID 10490873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).