2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid

C11H10N2O2S — CID 96597004

IUPAC2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid
SMILESCn1cc2c(n1)-c1cc(C(=O)O)sc1CC2
InChIInChI=1S/C11H10N2O2S/c1-13-5-6-2-3-8-7(10(6)12-13)4-9(16-8)11(14)15/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyGKWZIWZOGQNULZ-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.95
Rot. Bonds1

About 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid

2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid (PubChem CID 96597004) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid
PubChem CID96597004
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid
SMILESCn1cc2c(n1)-c1cc(C(=O)O)sc1CC2
InChIInChI=1S/C11H10N2O2S/c1-13-5-6-2-3-8-7(10(6)12-13)4-9(16-8)11(14)15/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyGKWZIWZOGQNULZ-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid?
The IUPAC name of 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid (CID 96597004) is 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid.
What is the SMILES notation for 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid?
The canonical SMILES for 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid is Cn1cc2c(n1)-c1cc(C(=O)O)sc1CC2.
What is the InChIKey of 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid?
The InChIKey is GKWZIWZOGQNULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-13-5-6-2-3-8-7(10(6)12-13)4-9(16-8)11(14)15/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid?
2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid is sourced from PubChem (CID 96597004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).