Basic information
- Standard SMILES
O=C(O)c1ccc(NC2CC2)c(OCC2CC2)n1- InChIKey
CBHLXHYMRNURNN-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Names & identifiers
- Preferred name
- 5-Cyclopropylamino-6-cyclopropylmethoxy-pyridine-2-carboxylic acid
- IUPAC
- 5-(cyclopropylamino)-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid
Names & synonyms
SCHEMBL14151449CBHLXHYMRNURNN-UHFFFAOYSA-N5-Cyclopropylamino-6-cyclopropylmethoxy-pyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 71087191
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
12 records
Compound notes
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