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

C14H10ClN3OS — CID 12027841

IUPAC(3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one
SMILESO=C1/C(=N/Nc2ccc(Cl)cc2)CSc2ncccc21
InChIInChI=1S/C14H10ClN3OS/c15-9-3-5-10(6-4-9)17-18-12-8-20-14-11(13(12)19)2-1-7-16-14/h1-7,17H,8H2/b18-12+
InChIKeyZOUXMGAZQRAZGI-LDADJPATSA-N
MW303.77 g/mol
LogP3.49
Rot. Bonds2

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

(3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one (PubChem CID 12027841) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is (3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name(3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one
PubChem CID12027841
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC Name(3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one
SMILESO=C1/C(=N/Nc2ccc(Cl)cc2)CSc2ncccc21
InChIInChI=1S/C14H10ClN3OS/c15-9-3-5-10(6-4-9)17-18-12-8-20-14-11(13(12)19)2-1-7-16-14/h1-7,17H,8H2/b18-12+
InChIKeyZOUXMGAZQRAZGI-LDADJPATSA-N
XLogP3.49
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one?
The IUPAC name of (3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one (CID 12027841) is (3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for (3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one?
The canonical SMILES for (3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one is O=C1/C(=N/Nc2ccc(Cl)cc2)CSc2ncccc21.
What is the InChIKey of (3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one?
The InChIKey is ZOUXMGAZQRAZGI-LDADJPATSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c15-9-3-5-10(6-4-9)17-18-12-8-20-14-11(13(12)19)2-1-7-16-14/h1-7,17H,8H2/b18-12+.
What are the key properties of (3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one?
(3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one has a molecular weight of 303.77 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-chlorophenyl)hydrazinylidene]thiopyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 12027841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).