3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid

C8H7N3O2 — CID 53412477

IUPAC3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESNc1c[nH]c2cc(C(=O)O)cnc12
InChIInChI=1S/C8H7N3O2/c9-5-3-10-6-1-4(8(12)13)2-11-7(5)6/h1-3,10H,9H2,(H,12,13)
InChIKeyQBDZOCFHIQYVQY-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.84
Rot. Bonds1

About 3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid

3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid (PubChem CID 53412477) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
PubChem CID53412477
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESNc1c[nH]c2cc(C(=O)O)cnc12
InChIInChI=1S/C8H7N3O2/c9-5-3-10-6-1-4(8(12)13)2-11-7(5)6/h1-3,10H,9H2,(H,12,13)
InChIKeyQBDZOCFHIQYVQY-UHFFFAOYSA-N
XLogP0.84
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid (CID 53412477) is 3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid is Nc1c[nH]c2cc(C(=O)O)cnc12.
What is the InChIKey of 3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is QBDZOCFHIQYVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-5-3-10-6-1-4(8(12)13)2-11-7(5)6/h1-3,10H,9H2,(H,12,13).
What are the key properties of 3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 53412477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).