6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one

C19H13NO2S — CID 170703217

IUPAC6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(c1cccs1)=C2c1cccnc1
InChIInChI=1S/C19H13NO2S/c1-22-13-6-7-14-15(10-13)19(21)18(16-5-3-9-23-16)17(14)12-4-2-8-20-11-12/h2-11H,1H3
InChIKeyWQCNOCMQHHRKNR-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.31
Rot. Bonds3

About 6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one

6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one (PubChem CID 170703217) has the molecular formula C19H13NO2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one.

Molecular Properties

Compound Name6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one
PubChem CID170703217
Molecular FormulaC19H13NO2S
Molecular Weight319.39 g/mol
Exact Mass319.07
IUPAC Name6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(c1cccs1)=C2c1cccnc1
InChIInChI=1S/C19H13NO2S/c1-22-13-6-7-14-15(10-13)19(21)18(16-5-3-9-23-16)17(14)12-4-2-8-20-11-12/h2-11H,1H3
InChIKeyWQCNOCMQHHRKNR-UHFFFAOYSA-N
XLogP4.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one?
The IUPAC name of 6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one (CID 170703217) is 6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one.
What is the SMILES notation for 6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one?
The canonical SMILES for 6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one is COc1ccc2c(c1)C(=O)C(c1cccs1)=C2c1cccnc1.
What is the InChIKey of 6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one?
The InChIKey is WQCNOCMQHHRKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2S/c1-22-13-6-7-14-15(10-13)19(21)18(16-5-3-9-23-16)17(14)12-4-2-8-20-11-12/h2-11H,1H3.
What are the key properties of 6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one?
6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one has a molecular weight of 319.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-pyridin-3-yl-2-thiophen-2-ylinden-1-one is sourced from PubChem (CID 170703217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).