1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid

C9H8N2O3 — CID 105445676

IUPAC1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESCn1ccc2[nH]c(=O)c(C(=O)O)cc21
InChIInChI=1S/C9H8N2O3/c1-11-3-2-6-7(11)4-5(9(13)14)8(12)10-6/h2-4H,1H3,(H,10,12)(H,13,14)
InChIKeyDIKFNSNNYZJGOY-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.56
Rot. Bonds1

About 1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid

1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid (PubChem CID 105445676) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
PubChem CID105445676
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESCn1ccc2[nH]c(=O)c(C(=O)O)cc21
InChIInChI=1S/C9H8N2O3/c1-11-3-2-6-7(11)4-5(9(13)14)8(12)10-6/h2-4H,1H3,(H,10,12)(H,13,14)
InChIKeyDIKFNSNNYZJGOY-UHFFFAOYSA-N
XLogP0.56
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid (CID 105445676) is 1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid is Cn1ccc2[nH]c(=O)c(C(=O)O)cc21.
What is the InChIKey of 1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is DIKFNSNNYZJGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-11-3-2-6-7(11)4-5(9(13)14)8(12)10-6/h2-4H,1H3,(H,10,12)(H,13,14).
What are the key properties of 1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 105445676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).