5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one

C14H10BrNOS — CID 113347683

IUPAC5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1ccc(Br)cc1
InChIInChI=1S/C14H10BrNOS/c15-11-3-1-10(2-4-11)9-16-7-5-13-12(14(16)17)6-8-18-13/h1-8H,9H2
InChIKeyDMNSKSPDCWPKEY-UHFFFAOYSA-N
MW320.21 g/mol
LogP3.87
Rot. Bonds2

About 5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one

5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one (PubChem CID 113347683) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
PubChem CID113347683
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1ccc(Br)cc1
InChIInChI=1S/C14H10BrNOS/c15-11-3-1-10(2-4-11)9-16-7-5-13-12(14(16)17)6-8-18-13/h1-8H,9H2
InChIKeyDMNSKSPDCWPKEY-UHFFFAOYSA-N
XLogP3.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-hydroxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 116626911
4-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 115886543
5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985658
5-[(3,4-dimethoxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103990875
5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 115912029
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
5-[(2-amino-6-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 112556948
3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 115886525
5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985928
5-[(3-fluoro-5-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 116626859
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one
CID 116626889

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one (CID 113347683) is 5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1Cc1ccc(Br)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is DMNSKSPDCWPKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c15-11-3-1-10(2-4-11)9-16-7-5-13-12(14(16)17)6-8-18-13/h1-8H,9H2.
What are the key properties of 5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one?
5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 320.21 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 113347683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).