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

C9H10ClNO2S — CID 21241740

IUPACmethyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride
SMILESCOC(=O)C1=Cc2ccsc2CN1.Cl
InChIInChI=1S/C9H9NO2S.ClH/c1-12-9(11)7-4-6-2-3-13-8(6)5-10-7;/h2-4,10H,5H2,1H3;1H
InChIKeyYDBOKNZMKXTSEZ-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.79
Rot. Bonds1

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

methyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride (PubChem CID 21241740) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is methyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride
PubChem CID21241740
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Namemethyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride
SMILESCOC(=O)C1=Cc2ccsc2CN1.Cl
InChIInChI=1S/C9H9NO2S.ClH/c1-12-9(11)7-4-6-2-3-13-8(6)5-10-7;/h2-4,10H,5H2,1H3;1H
InChIKeyYDBOKNZMKXTSEZ-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6,7-dihydro-1-benzothiophene-5-carboxylate
CID 14501982
methyl 4,5-dihydro-1-benzothiophene-6-carboxylate
CID 10512017
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 2-acetylthiophene-3-carboxylate
CID 13447179
methyl 2-(2-methylphenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 144676247
dimethyl 3,4-dithiophen-2-yl-1H-pyrrole-2,5-dicarboxylate
CID 102258239
methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
CID 124584496
ethyl 6-chloro-1,2-dihydroisoquinoline-3-carboxylate
CID 146184837
methyl 3-amino-1,2-dihydroimidazole-5-carboxylate
CID 155668932
methyl 3-(trideuteriomethyl)thiophene-2-carboxylate
CID 155662295

Frequently Asked Questions

What is the IUPAC name of methyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride?
The IUPAC name of methyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride (CID 21241740) is methyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride is COC(=O)C1=Cc2ccsc2CN1.Cl.
What is the InChIKey of methyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride?
The InChIKey is YDBOKNZMKXTSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S.ClH/c1-12-9(11)7-4-6-2-3-13-8(6)5-10-7;/h2-4,10H,5H2,1H3;1H.
What are the key properties of methyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride?
methyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride is sourced from PubChem (CID 21241740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).