7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid

C9H11NO2S — CID 53213896

IUPAC7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCN1CCCc2cc(C(=O)O)sc21
InChIInChI=1S/C9H11NO2S/c1-10-4-2-3-6-5-7(9(11)12)13-8(6)10/h5H,2-4H2,1H3,(H,11,12)
InChIKeyHVKGFWTZLAARRJ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.83
Rot. Bonds1

About 7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid

7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 53213896) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID53213896
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCN1CCCc2cc(C(=O)O)sc21
InChIInChI=1S/C9H11NO2S/c1-10-4-2-3-6-5-7(9(11)12)13-8(6)10/h5H,2-4H2,1H3,(H,11,12)
InChIKeyHVKGFWTZLAARRJ-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 53165457
5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride
CID 122236295
2,2,4-trimethyl-3H-thieno[3,2-b][1,4]thiazine-6-carboxylic acid
CID 82376584
5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-carboxylic acid
CID 82397438
5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369206
1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrole-2-carboxylic acid
CID 43463488
spiro[6,7-dihydro-4H-1-benzothiophene-5,1'-cyclopentane]-2-carboxylic acid
CID 114818755
5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid
CID 70791257
5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid
CID 82406699
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 3506281
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid (CID 53213896) is 7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid is CN1CCCc2cc(C(=O)O)sc21.
What is the InChIKey of 7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is HVKGFWTZLAARRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-10-4-2-3-6-5-7(9(11)12)13-8(6)10/h5H,2-4H2,1H3,(H,11,12).
What are the key properties of 7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid?
7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 53213896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).