methyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate

C15H10FNO3S — CID 67232832

IUPACmethyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate
SMILESCOC(=O)c1ncc2c(-c3ccc(F)cc3)csc2c1O
InChIInChI=1S/C15H10FNO3S/c1-20-15(19)12-13(18)14-10(6-17-12)11(7-21-14)8-2-4-9(16)5-3-8/h2-7,18H,1H3
InChIKeyKVXWARZNSUQASI-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.59
Rot. Bonds2

About methyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate

methyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate (PubChem CID 67232832) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate
PubChem CID67232832
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Namemethyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate
SMILESCOC(=O)c1ncc2c(-c3ccc(F)cc3)csc2c1O
InChIInChI=1S/C15H10FNO3S/c1-20-15(19)12-13(18)14-10(6-17-12)11(7-21-14)8-2-4-9(16)5-3-8/h2-7,18H,1H3
InChIKeyKVXWARZNSUQASI-UHFFFAOYSA-N
XLogP3.59
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate (CID 67232832) is methyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate is COC(=O)c1ncc2c(-c3ccc(F)cc3)csc2c1O.
What is the InChIKey of methyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate?
The InChIKey is KVXWARZNSUQASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c1-20-15(19)12-13(18)14-10(6-17-12)11(7-21-14)8-2-4-9(16)5-3-8/h2-7,18H,1H3.
What are the key properties of methyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate?
methyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate has a molecular weight of 303.31 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 67232832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).