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

C15H10FNO2S — CID 102538286

IUPACmethyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2sccc2c(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H10FNO2S/c1-19-15(18)12-8-13-11(6-7-20-13)14(17-12)9-2-4-10(16)5-3-9/h2-8H,1H3
InChIKeyMDWIHDNPZGTPPP-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.89
Rot. Bonds2

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

methyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate (PubChem CID 102538286) has the molecular formula C15H10FNO2S and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate
PubChem CID102538286
Molecular FormulaC15H10FNO2S
Molecular Weight287.32 g/mol
Exact Mass287.04
IUPAC Namemethyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2sccc2c(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H10FNO2S/c1-19-15(18)12-8-13-11(6-7-20-13)14(17-12)9-2-4-10(16)5-3-9/h2-8H,1H3
InChIKeyMDWIHDNPZGTPPP-UHFFFAOYSA-N
XLogP3.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate (CID 102538286) is methyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate is COC(=O)c1cc2sccc2c(-c2ccc(F)cc2)n1.
What is the InChIKey of methyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate?
The InChIKey is MDWIHDNPZGTPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2S/c1-19-15(18)12-8-13-11(6-7-20-13)14(17-12)9-2-4-10(16)5-3-9/h2-8H,1H3.
What are the key properties of methyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate?
methyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 102538286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).