(3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one

C15H10ClNOS — CID 11403483

IUPAC(3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)CSc2ncccc21
InChIInChI=1S/C15H10ClNOS/c16-12-5-3-10(4-6-12)8-11-9-19-15-13(14(11)18)2-1-7-17-15/h1-8H,9H2/b11-8+
InChIKeyQWUAUSVFSDWJNE-DHZHZOJOSA-N
MW287.77 g/mol
LogP4.11
Rot. Bonds1

About (3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one

(3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one (PubChem CID 11403483) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is (3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name(3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one
PubChem CID11403483
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Name(3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)CSc2ncccc21
InChIInChI=1S/C15H10ClNOS/c16-12-5-3-10(4-6-12)8-11-9-19-15-13(14(11)18)2-1-7-17-15/h1-8H,9H2/b11-8+
InChIKeyQWUAUSVFSDWJNE-DHZHZOJOSA-N
XLogP4.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one?
The IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one (CID 11403483) is (3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for (3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one?
The canonical SMILES for (3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one is O=C1/C(=C/c2ccc(Cl)cc2)CSc2ncccc21.
What is the InChIKey of (3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one?
The InChIKey is QWUAUSVFSDWJNE-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H10ClNOS/c16-12-5-3-10(4-6-12)8-11-9-19-15-13(14(11)18)2-1-7-17-15/h1-8H,9H2/b11-8+.
What are the key properties of (3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one?
(3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one has a molecular weight of 287.77 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-chlorophenyl)methylidene]thiopyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 11403483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).