methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate

C19H17NO3S — CID 58657287

IUPACmethyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(COCc3ccccc3)n2)s1
InChIInChI=1S/C19H17NO3S/c1-22-19(21)18-11-10-17(24-18)16-9-5-8-15(20-16)13-23-12-14-6-3-2-4-7-14/h2-11H,12-13H2,1H3
InChIKeyXWHYSEMYMRNCFD-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.31
Rot. Bonds6

About methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate

methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate (PubChem CID 58657287) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate
PubChem CID58657287
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Namemethyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(COCc3ccccc3)n2)s1
InChIInChI=1S/C19H17NO3S/c1-22-19(21)18-11-10-17(24-18)16-9-5-8-15(20-16)13-23-12-14-6-3-2-4-7-14/h2-11H,12-13H2,1H3
InChIKeyXWHYSEMYMRNCFD-UHFFFAOYSA-N
XLogP4.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate
CID 2819954
methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate
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methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate
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methyl 5-(2-bromophenyl)thiophene-2-carboxylate
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methyl 5-(6-chloropyrimidin-4-yl)thiophene-2-carboxylate
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methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate (CID 58657287) is methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate is COC(=O)c1ccc(-c2cccc(COCc3ccccc3)n2)s1.
What is the InChIKey of methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate?
The InChIKey is XWHYSEMYMRNCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-22-19(21)18-11-10-17(24-18)16-9-5-8-15(20-16)13-23-12-14-6-3-2-4-7-14/h2-11H,12-13H2,1H3.
What are the key properties of methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate?
methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate has a molecular weight of 339.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate is sourced from PubChem (CID 58657287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).