methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate

C10H8N2O3 — CID 175939656

IUPACmethyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cc(C=O)c2[nH]ccc2n1
InChIInChI=1S/C10H8N2O3/c1-15-10(14)8-4-6(5-13)9-7(12-8)2-3-11-9/h2-5,11H,1H3
InChIKeyPHGPGARDQWGLHT-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.16
Rot. Bonds2

About methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate

methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate (PubChem CID 175939656) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate
PubChem CID175939656
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Namemethyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cc(C=O)c2[nH]ccc2n1
InChIInChI=1S/C10H8N2O3/c1-15-10(14)8-4-6(5-13)9-7(12-8)2-3-11-9/h2-5,11H,1H3
InChIKeyPHGPGARDQWGLHT-UHFFFAOYSA-N
XLogP1.16
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.16
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

dimethyl 3,6-diformylbenzene-1,2-dicarboxylate
CID 145162990
methyl 7-chloro-4-methylquinoline-2-carboxylate
CID 82574602
methyl 6-formyl-2-methylpyrimidine-4-carboxylate
CID 144869326
dimethyl 6-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylate
CID 11089322
5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 117273167
dimethyl 7-bromoquinoline-2,4-dicarboxylate
CID 67245888
methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate
CID 134540913
methyl 3-chloro-4-formyl-1H-pyrrole-2-carboxylate
CID 86644899
methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate
CID 86674254
methyl 4-formyl-7-hydroxy-1-benzothiophene-2-carboxylate
CID 131384559
methyl 7-formyl-4-hydroxy-1-benzothiophene-2-carboxylate
CID 131475879
methyl 4-formyl-3-iodobenzoate
CID 131403378

Frequently Asked Questions

What is the IUPAC name of methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate?
The IUPAC name of methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate (CID 175939656) is methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate is COC(=O)c1cc(C=O)c2[nH]ccc2n1.
What is the InChIKey of methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate?
The InChIKey is PHGPGARDQWGLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-15-10(14)8-4-6(5-13)9-7(12-8)2-3-11-9/h2-5,11H,1H3.
What are the key properties of methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate?
methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate is sourced from PubChem (CID 175939656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).