1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride

C8H7ClN2O2 — CID 57445357

IUPAC1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc2cccnc2[nH]1
InChIInChI=1S/C8H6N2O2.ClH/c11-8(12)6-4-5-2-1-3-9-7(5)10-6;/h1-4H,(H,9,10)(H,11,12);1H
InChIKeyXJSYPYNMJNYOLJ-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.68
Rot. Bonds1

About 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride

1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 57445357) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride
PubChem CID57445357
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc2cccnc2[nH]1
InChIInChI=1S/C8H6N2O2.ClH/c11-8(12)6-4-5-2-1-3-9-7(5)10-6;/h1-4H,(H,9,10)(H,11,12);1H
InChIKeyXJSYPYNMJNYOLJ-UHFFFAOYSA-N
XLogP1.68
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride 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 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride (CID 57445357) is 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1cc2cccnc2[nH]1.
What is the InChIKey of 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is XJSYPYNMJNYOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.ClH/c11-8(12)6-4-5-2-1-3-9-7(5)10-6;/h1-4H,(H,9,10)(H,11,12);1H.
What are the key properties of 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride?
1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 198.61 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 57445357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).