butyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate

C19H18FNO3S — CID 67233208

IUPACbutyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate
SMILESCCCCOC(=O)c1nc(C)c2cc(-c3ccc(F)cc3)sc2c1O
InChIInChI=1S/C19H18FNO3S/c1-3-4-9-24-19(23)16-17(22)18-14(11(2)21-16)10-15(25-18)12-5-7-13(20)8-6-12/h5-8,10,22H,3-4,9H2,1-2H3
InChIKeyIQPQFOZNZAOXSK-UHFFFAOYSA-N
MW359.42 g/mol
LogP5.07
Rot. Bonds5

About butyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate

butyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate (PubChem CID 67233208) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is butyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namebutyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate
PubChem CID67233208
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Namebutyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate
SMILESCCCCOC(=O)c1nc(C)c2cc(-c3ccc(F)cc3)sc2c1O
InChIInChI=1S/C19H18FNO3S/c1-3-4-9-24-19(23)16-17(22)18-14(11(2)21-16)10-15(25-18)12-5-7-13(20)8-6-12/h5-8,10,22H,3-4,9H2,1-2H3
InChIKeyIQPQFOZNZAOXSK-UHFFFAOYSA-N
XLogP5.07
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate?
The IUPAC name of butyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate (CID 67233208) is butyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for butyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for butyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate is CCCCOC(=O)c1nc(C)c2cc(-c3ccc(F)cc3)sc2c1O.
What is the InChIKey of butyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate?
The InChIKey is IQPQFOZNZAOXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c1-3-4-9-24-19(23)16-17(22)18-14(11(2)21-16)10-15(25-18)12-5-7-13(20)8-6-12/h5-8,10,22H,3-4,9H2,1-2H3.
What are the key properties of butyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate?
butyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate has a molecular weight of 359.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 67233208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).