Completing data — usually done within a minute
Basic information
- CAS
645418-72-0- Standard SMILES
COc1cc(CNc2ccccc2C(=O)O)ccn1- InChIKey
WUIMUBZYBWASIZ-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- 2-[(2-Methoxy-pyridin-4-ylmethyl)-amino]-benzoic acid
- IUPAC
- 2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
Names & synonyms
645418-72-0SCHEMBL5627204WUIMUBZYBWASIZ-UHFFFAOYSA-NDTXSID201207269AKOS012287849DA-040502-{[(2-Methoxypyridin-4-yl)methyl]amino}benzoic acid2-[(2-methoxy-pyridin-4-ylmethyl)-amino]-benzoic acidBenzoic acid, 2-[[(2-methoxy-4-pyridinyl)methyl]amino]-
Database identifiers
- CAS
645418-72-0- PubChem CID
- 62989484
- DTXSID
DTXSID201207269
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Related reactions
4 records
Compound notes
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