methyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate

C15H11NO2S — CID 46228238

IUPACmethyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1cc2ccccc2s1
InChIInChI=1S/C15H11NO2S/c1-18-15(17)11-6-4-8-16-14(11)13-9-10-5-2-3-7-12(10)19-13/h2-9H,1H3
InChIKeyLRZZTSNPMYQHKX-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.75
Rot. Bonds2

About methyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate

methyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate (PubChem CID 46228238) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is methyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate
PubChem CID46228238
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Namemethyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1cc2ccccc2s1
InChIInChI=1S/C15H11NO2S/c1-18-15(17)11-6-4-8-16-14(11)13-9-10-5-2-3-7-12(10)19-13/h2-9H,1H3
InChIKeyLRZZTSNPMYQHKX-UHFFFAOYSA-N
XLogP3.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate (CID 46228238) is methyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate is COC(=O)c1cccnc1-c1cc2ccccc2s1.
What is the InChIKey of methyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate?
The InChIKey is LRZZTSNPMYQHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-18-15(17)11-6-4-8-16-14(11)13-9-10-5-2-3-7-12(10)19-13/h2-9H,1H3.
What are the key properties of methyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate?
methyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate has a molecular weight of 269.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzothiophen-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 46228238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).