ethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate

C18H14FNO4S — CID 4884019

IUPACethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2ncc(C(=O)c3cc(F)ccc3O)cc2c1C
InChIInChI=1S/C18H14FNO4S/c1-3-24-18(23)16-9(2)12-6-10(8-20-17(12)25-16)15(22)13-7-11(19)4-5-14(13)21/h4-8,21H,3H2,1-2H3
InChIKeyKNACFTSEUZDGFY-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.86
Rot. Bonds4

About ethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate

ethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 4884019) has the molecular formula C18H14FNO4S and a molecular weight of 359.38 g/mol. Its IUPAC name is ethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID4884019
Molecular FormulaC18H14FNO4S
Molecular Weight359.38 g/mol
Exact Mass359.06
IUPAC Nameethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2ncc(C(=O)c3cc(F)ccc3O)cc2c1C
InChIInChI=1S/C18H14FNO4S/c1-3-24-18(23)16-9(2)12-6-10(8-20-17(12)25-16)15(22)13-7-11(19)4-5-14(13)21/h4-8,21H,3H2,1-2H3
InChIKeyKNACFTSEUZDGFY-UHFFFAOYSA-N
XLogP3.86
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-hydroxythieno(2,3-b)pyridine-2-carboxylate
CID 2727696
Ethyl 5-(3,5-dichloro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
CID 2095794
Ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
CID 2421275
Ethyl 5-(2-hydroxy-5-methylbenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
CID 2098056
Ethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
CID 2456142
Cyclohexyl 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylate
CID 45881926
3-(Benzyloxy)thieno[2,3-b]pyridine-2-carboxylic acid
CID 1478615
5-Acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid
CID 25312868
Methyl 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylate
CID 28819524
[1]Benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone
CID 134833986
4-(4-Fluorophenyl)thieno[2,3-b]pyridine-5-carboxylic acid
CID 23364056
2-(2,3-Difluoro-4-methylphenyl)-4-[2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
CID 58191330

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate (CID 4884019) is ethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2ncc(C(=O)c3cc(F)ccc3O)cc2c1C.
What is the InChIKey of ethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is KNACFTSEUZDGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S/c1-3-24-18(23)16-9(2)12-6-10(8-20-17(12)25-16)15(22)13-7-11(19)4-5-14(13)21/h4-8,21H,3H2,1-2H3.
What are the key properties of ethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-fluoro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 4884019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).