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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Related Compounds

5,6-diaminopyridine-3-carboxylic acid
CID 22476298
2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid
CID 155978085
2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820572
3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 74890109
4-amino-3-bromo-1H-indole-6-carboxylic acid
CID 84708356
2-aminopyrimidine-5-carboxylic acid
CID 7020367
methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 123135144
5-amino-6-cyanopyridine-3-carboxylic acid
CID 130777741
(2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium
CID 87420131
1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid
CID 96613315
quinoline-3,5,6,7,8-pentacarboxylic acid
CID 22158723
5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
CID 81439625

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).