methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate

C9H11NO2S — CID 58157649

IUPACmethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CNCC2
InChIInChI=1S/C9H11NO2S/c1-12-9(11)7-4-6-2-3-10-5-8(6)13-7/h4,10H,2-3,5H2,1H3
InChIKeyZBFJJGBWKCYVDY-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.18
Rot. Bonds1

About methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate

methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate (PubChem CID 58157649) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate
PubChem CID58157649
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Namemethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CNCC2
InChIInChI=1S/C9H11NO2S/c1-12-9(11)7-4-6-2-3-10-5-8(6)13-7/h4,10H,2-3,5H2,1H3
InChIKeyZBFJJGBWKCYVDY-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate (CID 58157649) is methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2c(s1)CNCC2.
What is the InChIKey of methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is ZBFJJGBWKCYVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-9(11)7-4-6-2-3-10-5-8(6)13-7/h4,10H,2-3,5H2,1H3.
What are the key properties of methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate?
methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 197.26 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 58157649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).