2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one

C12H10N2OS — CID 70681129

IUPAC2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
SMILESO=C1NCCc2sc(-c3ccncc3)cc21
InChIInChI=1S/C12H10N2OS/c15-12-9-7-11(8-1-4-13-5-2-8)16-10(9)3-6-14-12/h1-2,4-5,7H,3,6H2,(H,14,15)
InChIKeyPMWUFVINBCBWQC-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.10
Rot. Bonds1

About 2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one

2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 70681129) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
PubChem CID70681129
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
SMILESO=C1NCCc2sc(-c3ccncc3)cc21
InChIInChI=1S/C12H10N2OS/c15-12-9-7-11(8-1-4-13-5-2-8)16-10(9)3-6-14-12/h1-2,4-5,7H,3,6H2,(H,14,15)
InChIKeyPMWUFVINBCBWQC-UHFFFAOYSA-N
XLogP2.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9839311
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CID 53245730
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CID 2778719
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CID 25218751
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CID 44418106
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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one (CID 70681129) is 2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one is O=C1NCCc2sc(-c3ccncc3)cc21.
What is the InChIKey of 2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is PMWUFVINBCBWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-12-9-7-11(8-1-4-13-5-2-8)16-10(9)3-6-14-12/h1-2,4-5,7H,3,6H2,(H,14,15).
What are the key properties of 2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 230.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 70681129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).