7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one

C17H10ClN3OS — CID 56683910

IUPAC7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]cc(-c2cccc(Cl)n2)c2sc(-c3ccncc3)cc12
InChIInChI=1S/C17H10ClN3OS/c18-15-3-1-2-13(21-15)12-9-20-17(22)11-8-14(23-16(11)12)10-4-6-19-7-5-10/h1-9H,(H,20,22)
InChIKeyXLLVPOMMEDHXJQ-UHFFFAOYSA-N
MW339.81 g/mol
LogP4.37
Rot. Bonds2

About 7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one

7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 56683910) has the molecular formula C17H10ClN3OS and a molecular weight of 339.81 g/mol. Its IUPAC name is 7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID56683910
Molecular FormulaC17H10ClN3OS
Molecular Weight339.81 g/mol
Exact Mass339.02
IUPAC Name7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]cc(-c2cccc(Cl)n2)c2sc(-c3ccncc3)cc12
InChIInChI=1S/C17H10ClN3OS/c18-15-3-1-2-13(21-15)12-9-20-17(22)11-8-14(23-16(11)12)10-4-6-19-7-5-10/h1-9H,(H,20,22)
InChIKeyXLLVPOMMEDHXJQ-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (CID 56683910) is 7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is O=c1[nH]cc(-c2cccc(Cl)n2)c2sc(-c3ccncc3)cc12.
What is the InChIKey of 7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is XLLVPOMMEDHXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3OS/c18-15-3-1-2-13(21-15)12-9-20-17(22)11-8-14(23-16(11)12)10-4-6-19-7-5-10/h1-9H,(H,20,22).
What are the key properties of 7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 339.81 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 56683910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).