3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

C11H12N2O2 — CID 84672253

IUPAC3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCC(C)c1c(C(=O)O)[nH]c2cccnc12
InChIInChI=1S/C11H12N2O2/c1-6(2)8-9-7(4-3-5-12-9)13-10(8)11(14)15/h3-6,13H,1-2H3,(H,14,15)
InChIKeyHQJNQQACOZMNIN-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.38
Rot. Bonds2

About 3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 84672253) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID84672253
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCC(C)c1c(C(=O)O)[nH]c2cccnc12
InChIInChI=1S/C11H12N2O2/c1-6(2)8-9-7(4-3-5-12-9)13-10(8)11(14)15/h3-6,13H,1-2H3,(H,14,15)
InChIKeyHQJNQQACOZMNIN-UHFFFAOYSA-N
XLogP2.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 84672253) is 3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is CC(C)c1c(C(=O)O)[nH]c2cccnc12.
What is the InChIKey of 3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is HQJNQQACOZMNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6(2)8-9-7(4-3-5-12-9)13-10(8)11(14)15/h3-6,13H,1-2H3,(H,14,15).
What are the key properties of 3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 84672253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).