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

C14H9BrFNOS — CID 103985658

IUPAC5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1cc(Br)ccc1F
InChIInChI=1S/C14H9BrFNOS/c15-10-1-2-12(16)9(7-10)8-17-5-3-13-11(14(17)18)4-6-19-13/h1-7H,8H2
InChIKeyGSVCSDSRFPLRLO-UHFFFAOYSA-N
MW338.20 g/mol
LogP4.01
Rot. Bonds2

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

5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one (PubChem CID 103985658) has the molecular formula C14H9BrFNOS and a molecular weight of 338.20 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
PubChem CID103985658
Molecular FormulaC14H9BrFNOS
Molecular Weight338.20 g/mol
Exact Mass336.96
IUPAC Name5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1cc(Br)ccc1F
InChIInChI=1S/C14H9BrFNOS/c15-10-1-2-12(16)9(7-10)8-17-5-3-13-11(14(17)18)4-6-19-13/h1-7H,8H2
InChIKeyGSVCSDSRFPLRLO-UHFFFAOYSA-N
XLogP4.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 113347683
5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 112556954
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
3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 55035567
N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396051
5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 115912029
1-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 63812366
5-[(2-amino-6-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 112556948
2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile
CID 115886541
5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 47214230
5-[(4-hydroxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 116626911

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one (CID 103985658) is 5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1Cc1cc(Br)ccc1F.
What is the InChIKey of 5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is GSVCSDSRFPLRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNOS/c15-10-1-2-12(16)9(7-10)8-17-5-3-13-11(14(17)18)4-6-19-13/h1-7H,8H2.
What are the key properties of 5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 338.20 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 103985658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).