2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone

C18H12N2OS — CID 141207398

IUPAC2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone
SMILESO=C(Cc1cccnc1)c1ccc(C#Cc2cccnc2)s1
InChIInChI=1S/C18H12N2OS/c21-17(11-15-4-2-10-20-13-15)18-8-7-16(22-18)6-5-14-3-1-9-19-12-14/h1-4,7-10,12-13H,11H2
InChIKeyALXMVRCKGPPRHR-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.36
Rot. Bonds3

About 2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone

2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone (PubChem CID 141207398) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone
PubChem CID141207398
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone
SMILESO=C(Cc1cccnc1)c1ccc(C#Cc2cccnc2)s1
InChIInChI=1S/C18H12N2OS/c21-17(11-15-4-2-10-20-13-15)18-8-7-16(22-18)6-5-14-3-1-9-19-12-14/h1-4,7-10,12-13H,11H2
InChIKeyALXMVRCKGPPRHR-UHFFFAOYSA-N
XLogP3.36
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone
CID 115799108
1-[5-(4-isocyanophenyl)thiophen-2-yl]-2-pyridin-3-ylethanone
CID 159165959
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
2-(dimethylamino)-1-[5-(2-phenylethynyl)thiophen-2-yl]ethanone
CID 170895613
CID 66868100
CID 66868100
2-pyridin-3-ylacetyl chloride
CID 14697475
3-pyridin-3-ylprop-2-ynoic acid;hydrochloride
CID 119081448
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
1-pyridin-3-ylpent-4-yn-2-one
CID 62551536
1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone
CID 102830690
1-[4-(2-pyridin-3-ylethynyl)phenyl]ethanone
CID 86068222
ethene;1-pyridin-3-ylbut-3-yn-2-one
CID 143759545

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone?
The IUPAC name of 2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone (CID 141207398) is 2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone?
The canonical SMILES for 2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone is O=C(Cc1cccnc1)c1ccc(C#Cc2cccnc2)s1.
What is the InChIKey of 2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone?
The InChIKey is ALXMVRCKGPPRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-17(11-15-4-2-10-20-13-15)18-8-7-16(22-18)6-5-14-3-1-9-19-12-14/h1-4,7-10,12-13H,11H2.
What are the key properties of 2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone?
2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone has a molecular weight of 304.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 141207398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).