2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile

C15H10N2OS — CID 115886541

IUPAC2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccc2sccc2c1=O
InChIInChI=1S/C15H10N2OS/c16-9-11-3-1-2-4-12(11)10-17-7-5-14-13(15(17)18)6-8-19-14/h1-8H,10H2
InChIKeyCPNMUZFWNBPBQE-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.98
Rot. Bonds2

About 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile

2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile (PubChem CID 115886541) has the molecular formula C15H10N2OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile
PubChem CID115886541
Molecular FormulaC15H10N2OS
Molecular Weight266.33 g/mol
Exact Mass266.05
IUPAC Name2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccc2sccc2c1=O
InChIInChI=1S/C15H10N2OS/c16-9-11-3-1-2-4-12(11)10-17-7-5-14-13(15(17)18)6-8-19-14/h1-8H,10H2
InChIKeyCPNMUZFWNBPBQE-UHFFFAOYSA-N
XLogP2.98
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile
CID 114485997
5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 115886559
5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985928
2-[(3-bromo-2-oxo-1-pyridinyl)methyl]benzonitrile
CID 82147056
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 112556954
5-[(4-hydroxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 116626911
5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 113347683
5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985658
4-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 115886543
2-[(1-oxo-6-propoxyisoquinolin-2-yl)methyl]benzonitrile
CID 94757457
5-but-2-ynylthieno[3,2-c]pyridin-4-one
CID 115886548

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile?
The IUPAC name of 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile (CID 115886541) is 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile is N#Cc1ccccc1Cn1ccc2sccc2c1=O.
What is the InChIKey of 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile?
The InChIKey is CPNMUZFWNBPBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS/c16-9-11-3-1-2-4-12(11)10-17-7-5-14-13(15(17)18)6-8-19-14/h1-8H,10H2.
What are the key properties of 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile?
2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile has a molecular weight of 266.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile is sourced from PubChem (CID 115886541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).