2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one

C12H10BrN3OS — CID 70655596

IUPAC2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one
SMILESNc1ncc(Br)cc1-c1cc2c(s1)C(=O)NCC2
InChIInChI=1S/C12H10BrN3OS/c13-7-4-8(11(14)16-5-7)9-3-6-1-2-15-12(17)10(6)18-9/h3-5H,1-2H2,(H2,14,16)(H,15,17)
InChIKeyOFPQSKUDQUHTJD-UHFFFAOYSA-N
MW324.20 g/mol
LogP2.44
Rot. Bonds1

About 2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one

2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one (PubChem CID 70655596) has the molecular formula C12H10BrN3OS and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one
PubChem CID70655596
Molecular FormulaC12H10BrN3OS
Molecular Weight324.20 g/mol
Exact Mass322.97
IUPAC Name2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one
SMILESNc1ncc(Br)cc1-c1cc2c(s1)C(=O)NCC2
InChIInChI=1S/C12H10BrN3OS/c13-7-4-8(11(14)16-5-7)9-3-6-1-2-15-12(17)10(6)18-9/h3-5H,1-2H2,(H2,14,16)(H,15,17)
InChIKeyOFPQSKUDQUHTJD-UHFFFAOYSA-N
XLogP2.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one?
The IUPAC name of 2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one (CID 70655596) is 2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one?
The canonical SMILES for 2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one is Nc1ncc(Br)cc1-c1cc2c(s1)C(=O)NCC2.
What is the InChIKey of 2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one?
The InChIKey is OFPQSKUDQUHTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3OS/c13-7-4-8(11(14)16-5-7)9-3-6-1-2-15-12(17)10(6)18-9/h3-5H,1-2H2,(H2,14,16)(H,15,17).
What are the key properties of 2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one?
2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one has a molecular weight of 324.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromo-3-pyridinyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 70655596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).