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

C14H9ClFNOS — CID 103985928

IUPAC5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1cccc(F)c1Cl
InChIInChI=1S/C14H9ClFNOS/c15-13-9(2-1-3-11(13)16)8-17-6-4-12-10(14(17)18)5-7-19-12/h1-7H,8H2
InChIKeyFQQMVGPSWONWHW-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.90
Rot. Bonds2

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

5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one (PubChem CID 103985928) has the molecular formula C14H9ClFNOS and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
PubChem CID103985928
Molecular FormulaC14H9ClFNOS
Molecular Weight293.75 g/mol
Exact Mass293.01
IUPAC Name5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1cccc(F)c1Cl
InChIInChI=1S/C14H9ClFNOS/c15-13-9(2-1-3-11(13)16)8-17-6-4-12-10(14(17)18)5-7-19-12/h1-7H,8H2
InChIKeyFQQMVGPSWONWHW-UHFFFAOYSA-N
XLogP3.90
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 115886559
5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 112556954
5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985658
2-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile
CID 115886541
5-[(2-amino-6-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 112556948
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylimidazol-2-one
CID 116624629
4-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 115886543
3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 115886525
5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 115912066
5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 86785416
1-[(2-chloro-3-fluorophenyl)methyl]pyrrole-2-carbaldehyde
CID 112652874

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one (CID 103985928) is 5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1Cc1cccc(F)c1Cl.
What is the InChIKey of 5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is FQQMVGPSWONWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNOS/c15-13-9(2-1-3-11(13)16)8-17-6-4-12-10(14(17)18)5-7-19-12/h1-7H,8H2.
What are the key properties of 5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 293.75 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 103985928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).