5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

C9H8N2O3 — CID 117273167

IUPAC5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCOc1cc(C(=O)O)c2[nH]ccc2n1
InChIInChI=1S/C9H8N2O3/c1-14-7-4-5(9(12)13)8-6(11-7)2-3-10-8/h2-4,10H,1H3,(H,12,13)
InChIKeyMCEGNMVVIYRDTI-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.27
Rot. Bonds2

About 5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 117273167) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID117273167
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCOc1cc(C(=O)O)c2[nH]ccc2n1
InChIInChI=1S/C9H8N2O3/c1-14-7-4-5(9(12)13)8-6(11-7)2-3-10-8/h2-4,10H,1H3,(H,12,13)
InChIKeyMCEGNMVVIYRDTI-UHFFFAOYSA-N
XLogP1.27
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 117273167) is 5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is COc1cc(C(=O)O)c2[nH]ccc2n1.
What is the InChIKey of 5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is MCEGNMVVIYRDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-7-4-5(9(12)13)8-6(11-7)2-3-10-8/h2-4,10H,1H3,(H,12,13).
What are the key properties of 5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 117273167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).