6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one

C15H9F4NO2S — CID 150131123

IUPAC6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one
SMILESCc1cc2c(=O)c(O)c(-c3ccc(F)c(C(F)(F)F)c3)[nH]c2s1
InChIInChI=1S/C15H9F4NO2S/c1-6-4-8-12(21)13(22)11(20-14(8)23-6)7-2-3-10(16)9(5-7)15(17,18)19/h2-5,22H,1H3,(H,20,21)
InChIKeyFBGMTFQEYIRTLW-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.43
Rot. Bonds1

About 6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one

6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one (PubChem CID 150131123) has the molecular formula C15H9F4NO2S and a molecular weight of 343.30 g/mol. Its IUPAC name is 6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one
PubChem CID150131123
Molecular FormulaC15H9F4NO2S
Molecular Weight343.30 g/mol
Exact Mass343.03
IUPAC Name6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one
SMILESCc1cc2c(=O)c(O)c(-c3ccc(F)c(C(F)(F)F)c3)[nH]c2s1
InChIInChI=1S/C15H9F4NO2S/c1-6-4-8-12(21)13(22)11(20-14(8)23-6)7-2-3-10(16)9(5-7)15(17,18)19/h2-5,22H,1H3,(H,20,21)
InChIKeyFBGMTFQEYIRTLW-UHFFFAOYSA-N
XLogP4.43
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one?
The IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one (CID 150131123) is 6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one.
What is the SMILES notation for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one?
The canonical SMILES for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one is Cc1cc2c(=O)c(O)c(-c3ccc(F)c(C(F)(F)F)c3)[nH]c2s1.
What is the InChIKey of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one?
The InChIKey is FBGMTFQEYIRTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO2S/c1-6-4-8-12(21)13(22)11(20-14(8)23-6)7-2-3-10(16)9(5-7)15(17,18)19/h2-5,22H,1H3,(H,20,21).
What are the key properties of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one?
6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one has a molecular weight of 343.30 g/mol, XLogP of 4.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-2-methyl-7H-thieno[2,3-b]pyridin-4-one is sourced from PubChem (CID 150131123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).