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

C9H11NO2S — CID 18697868

IUPACmethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CCNC2
InChIInChI=1S/C9H11NO2S/c1-12-9(11)8-4-6-5-10-3-2-7(6)13-8/h4,10H,2-3,5H2,1H3
InChIKeyOJCNUBLGCOYAOJ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.18
Rot. Bonds1

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

methyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate (PubChem CID 18697868) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is methyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate
PubChem CID18697868
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Namemethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CCNC2
InChIInChI=1S/C9H11NO2S/c1-12-9(11)8-4-6-5-10-3-2-7(6)13-8/h4,10H,2-3,5H2,1H3
InChIKeyOJCNUBLGCOYAOJ-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

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

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Related Compounds

4H,5H,6H,7H-thieno[2,3-c]pyridine-2-carboxylic acid hydrochloride
CID 137951220
ethyl 4H,5H,6H,7H-thieno(2,3-c)pyridine-2-carboxylate
CID 58157529
methyl 4H,5H,6H,7H-thieno(2,3-c)pyridine-2-carboxylate
CID 58157649
4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid hydrochloride
CID 68643989
methyl 4H,5H,6H,7H-thieno(3,2-c)pyridine-2-carboxylate hydrochloride
CID 69774820
methyl 4H,5H,6H,7H-thieno(2,3-c)pyridine-2-carboxylate hydrochloride
CID 73425274
ethyl 4H,5H,6H,7H-thieno[2,3-c]pyridine-2-carboxylate hydrochloride
CID 132372895
Methyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate hydrochloride
CID 165143101
methyl 4H,5H,6H,7H,8H-thieno(3,2-c)azepine-2-carboxylate hydrochloride
CID 138037959
Methyl 5-(pyrrolidin-2-yl)thiophene-3-carboxylate hydrochloride
CID 165658859
methyl 5-(chlorosulfonyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxylate
CID 167732663
4H,5H,6H,7H-Thieno[2,3-c]pyridine-2-carboxylic acid
CID 18377417

Frequently Asked Questions

What is the IUPAC name of methyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate (CID 18697868) is methyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate is COC(=O)c1cc2c(s1)CCNC2.
What is the InChIKey of methyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate?
The InChIKey is OJCNUBLGCOYAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-9(11)8-4-6-5-10-3-2-7(6)13-8/h4,10H,2-3,5H2,1H3.
What are the key properties of methyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate?
methyl 4,5,6,7-tetrahydrothieno[3,2-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[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 18697868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).