Basic information
- Standard SMILES
COc1cnc(-c2cncnc2)c2[nH]cc(C(=O)C(=O)O)c12- InChIKey
TZLCZPLGMLGPTI-UHFFFAOYSA-N- Molecular formula
- C14H10N4O4
- Average molar mass
- 298.25 g/mol
- Monoisotopic mass
- 298.07020481
Names & identifiers
- Preferred name
- 2-(4-methoxy-7-(pyrimidin-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid
- IUPAC
- 2-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid
Names & synonyms
SCHEMBL3559668TZLCZPLGMLGPTI-UHFFFAOYSA-N2-(4-methoxy-7-(pyrimidin-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid
Database identifiers
- PubChem CID
- 68690932
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
Related reactions
2 records
Compound notes
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