7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid

C8H6N2O2 — CID 67151210

IUPAC7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)C1=CN=C2C=CN=C2C1
InChIInChI=1S/C8H6N2O2/c11-8(12)5-3-7-6(10-4-5)1-2-9-7/h1-2,4H,3H2,(H,11,12)
InChIKeyGATALFCSFAZGFZ-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.77
Rot. Bonds1

About 7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid

7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid (PubChem CID 67151210) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
PubChem CID67151210
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)C1=CN=C2C=CN=C2C1
InChIInChI=1S/C8H6N2O2/c11-8(12)5-3-7-6(10-4-5)1-2-9-7/h1-2,4H,3H2,(H,11,12)
InChIKeyGATALFCSFAZGFZ-UHFFFAOYSA-N
XLogP0.77
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid (CID 67151210) is 7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid is O=C(O)C1=CN=C2C=CN=C2C1.
What is the InChIKey of 7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is GATALFCSFAZGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-8(12)5-3-7-6(10-4-5)1-2-9-7/h1-2,4H,3H2,(H,11,12).
What are the key properties of 7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 162.15 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 67151210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).