Basic information
- Standard SMILES
COc1nc(CC(=O)O)c([N+](=O)[O-])cc1C- InChIKey
VQEAMKXBBGYGRW-UHFFFAOYSA-N- Molecular formula
- C9H10N2O5
- Average molar mass
- 226.19 g/mol
Names & identifiers
- Preferred name
- 2-(6-Methoxy-5-methyl-3-nitropyridin-2-yl)acetic acid
- IUPAC
- 2-(6-methoxy-5-methyl-3-nitro-2-pyridinyl)acetic acid
Names & synonyms
2-(6-methoxy-5-methyl-3-nitropyridin-2-yl)acetic acidSCHEMBL1558840SCHEMBL1559396VQEAMKXBBGYGRW-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 44596706
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Related reactions
4 records
Compound notes
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