3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one

C10H8ClNOS — CID 104788140

IUPAC3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one
SMILESO=C1C=C(Sc2ccc(Cl)cn2)CC1
InChIInChI=1S/C10H8ClNOS/c11-7-1-4-10(12-6-7)14-9-3-2-8(13)5-9/h1,4-6H,2-3H2
InChIKeyPXWSHXUPYDJMEH-UHFFFAOYSA-N
MW225.70 g/mol
LogP3.07
Rot. Bonds2

About 3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one

3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one (PubChem CID 104788140) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one
PubChem CID104788140
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one
SMILESO=C1C=C(Sc2ccc(Cl)cn2)CC1
InChIInChI=1S/C10H8ClNOS/c11-7-1-4-10(12-6-7)14-9-3-2-8(13)5-9/h1,4-6H,2-3H2
InChIKeyPXWSHXUPYDJMEH-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine
CID 116649310
5-chloro-2-(2-chlorophenyl)sulfanylpyridine
CID 66218398
4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde
CID 114863746
5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 115491247
2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid
CID 79357437
6-[(5-chloro-2-pyridinyl)sulfanyl]pyridin-2-amine
CID 80653451
4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine
CID 80890982
4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine
CID 80951915
6-[(5-chloro-2-pyridinyl)sulfanyl]-1-methylindole-2,3-dione
CID 81309212
4-[(5-chloro-2-pyridinyl)sulfanyl]quinolin-8-amine
CID 83060634
5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 107754025
6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine
CID 80891522

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one (CID 104788140) is 3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one is O=C1C=C(Sc2ccc(Cl)cn2)CC1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one?
The InChIKey is PXWSHXUPYDJMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c11-7-1-4-10(12-6-7)14-9-3-2-8(13)5-9/h1,4-6H,2-3H2.
What are the key properties of 3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one?
3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one has a molecular weight of 225.70 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one is sourced from PubChem (CID 104788140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).