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

C9H12ClNO2S — CID 165143101

IUPACmethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1csc2c1CCNC2.Cl
InChIInChI=1S/C9H11NO2S.ClH/c1-12-9(11)7-5-13-8-4-10-3-2-6(7)8;/h5,10H,2-4H2,1H3;1H
InChIKeyQOCFQIRDBKAJBX-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.60
Rot. Bonds1

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

methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride (PubChem CID 165143101) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
PubChem CID165143101
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Namemethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1csc2c1CCNC2.Cl
InChIInChI=1S/C9H11NO2S.ClH/c1-12-9(11)7-5-13-8-4-10-3-2-6(7)8;/h5,10H,2-4H2,1H3;1H
InChIKeyQOCFQIRDBKAJBX-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.60
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-3-carboxylate;hydrochloride?
The IUPAC name of methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride (CID 165143101) is methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride is COC(=O)c1csc2c1CCNC2.Cl.
What is the InChIKey of methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride?
The InChIKey is QOCFQIRDBKAJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S.ClH/c1-12-9(11)7-5-13-8-4-10-3-2-6(7)8;/h5,10H,2-4H2,1H3;1H.
What are the key properties of methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride?
methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride has a molecular weight of 233.72 g/mol, XLogP of 1.60, 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-3-carboxylate;hydrochloride is sourced from PubChem (CID 165143101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).