3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride

C10H11ClN2O2S — CID 43810775

IUPAC3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
SMILESCc1cc(C)c2c(N)c(C(=O)O)sc2n1.Cl
InChIInChI=1S/C10H10N2O2S.ClH/c1-4-3-5(2)12-9-6(4)7(11)8(15-9)10(13)14;/h3H,11H2,1-2H3,(H,13,14);1H
InChIKeyOTBVIQHLDXAGOH-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.62
Rot. Bonds1

About 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride

3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 43810775) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
PubChem CID43810775
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
SMILESCc1cc(C)c2c(N)c(C(=O)O)sc2n1.Cl
InChIInChI=1S/C10H10N2O2S.ClH/c1-4-3-5(2)12-9-6(4)7(11)8(15-9)10(13)14;/h3H,11H2,1-2H3,(H,13,14);1H
InChIKeyOTBVIQHLDXAGOH-UHFFFAOYSA-N
XLogP2.62
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride (CID 43810775) is 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride is Cc1cc(C)c2c(N)c(C(=O)O)sc2n1.Cl.
What is the InChIKey of 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is OTBVIQHLDXAGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S.ClH/c1-4-3-5(2)12-9-6(4)7(11)8(15-9)10(13)14;/h3H,11H2,1-2H3,(H,13,14);1H.
What are the key properties of 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride?
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 258.73 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 43810775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).