methyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate

C17H13FN2O3S — CID 169144290

IUPACmethyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ncccc2OCc2cncc(F)c2)cs1
InChIInChI=1S/C17H13FN2O3S/c1-22-17(21)15-6-12(10-24-15)16-14(3-2-4-20-16)23-9-11-5-13(18)8-19-7-11/h2-8,10H,9H2,1H3
InChIKeyFTENNWPJWJUPJX-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.71
Rot. Bonds5

About methyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate

methyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate (PubChem CID 169144290) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate
PubChem CID169144290
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Namemethyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ncccc2OCc2cncc(F)c2)cs1
InChIInChI=1S/C17H13FN2O3S/c1-22-17(21)15-6-12(10-24-15)16-14(3-2-4-20-16)23-9-11-5-13(18)8-19-7-11/h2-8,10H,9H2,1H3
InChIKeyFTENNWPJWJUPJX-UHFFFAOYSA-N
XLogP3.71
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate (CID 169144290) is methyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate is COC(=O)c1cc(-c2ncccc2OCc2cncc(F)c2)cs1.
What is the InChIKey of methyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate?
The InChIKey is FTENNWPJWJUPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c1-22-17(21)15-6-12(10-24-15)16-14(3-2-4-20-16)23-9-11-5-13(18)8-19-7-11/h2-8,10H,9H2,1H3.
What are the key properties of methyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate?
methyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylate is sourced from PubChem (CID 169144290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).