6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid

C10H8N2O3 — CID 122685071

IUPAC6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid
SMILESCc1cc2ncc(C=O)cc2n1C(=O)O
InChIInChI=1S/C10H8N2O3/c1-6-2-8-9(12(6)10(14)15)3-7(5-13)4-11-8/h2-5H,1H3,(H,14,15)
InChIKeyXQWBUZDMSGSNGZ-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.68
Rot. Bonds1

About 6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid

6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid (PubChem CID 122685071) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid
PubChem CID122685071
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid
SMILESCc1cc2ncc(C=O)cc2n1C(=O)O
InChIInChI=1S/C10H8N2O3/c1-6-2-8-9(12(6)10(14)15)3-7(5-13)4-11-8/h2-5H,1H3,(H,14,15)
InChIKeyXQWBUZDMSGSNGZ-UHFFFAOYSA-N
XLogP1.68
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methylpyrrolo[3,2-b]pyridine-6-carbaldehyde
CID 84716725
5-hydroxy-6-methylpyridine-3-carbaldehyde
CID 15619958
2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde
CID 118078544
6-bromo-5-methylpyridine-3-carbaldehyde
CID 44754884
ethyl 5-formyl-3-methylpyridine-2-carboxylate
CID 145295306
1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde
CID 138667814
5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 58001739
2-ethylpyrimidine-5-carbaldehyde
CID 3160971
methoxymethane;6-methyl-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 142549771
6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde
CID 80631733
5-methyl-6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbaldehyde
CID 114236240
5,8-dimethylquinoline-3-carbaldehyde
CID 82111610

Frequently Asked Questions

What is the IUPAC name of 6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid?
The IUPAC name of 6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid (CID 122685071) is 6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid?
The canonical SMILES for 6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid is Cc1cc2ncc(C=O)cc2n1C(=O)O.
What is the InChIKey of 6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid?
The InChIKey is XQWBUZDMSGSNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-2-8-9(12(6)10(14)15)3-7(5-13)4-11-8/h2-5H,1H3,(H,14,15).
What are the key properties of 6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid?
6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-2-methylpyrrolo[3,2-b]pyridine-1-carboxylic acid is sourced from PubChem (CID 122685071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).