5-(4-Pyridinyl)-1-naphthaleneacetic acid
Basic information
- CAS
215949-72-7- Standard SMILES
O=C(O)Cc1cccc2c(-c3ccncc3)cccc12- InChIKey
LICVWQFWIOOBRO-UHFFFAOYSA-N- Molecular formula
- C17H13NO2
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.09462866
Names & identifiers
- Preferred name
- 5-(4-Pyridinyl)-1-naphthaleneacetic acid
- IUPAC
- 2-(5-pyridin-4-ylnaphthalen-1-yl)acetic acid
Names & synonyms
5-(4-Pyridinyl)-1-naphthaleneacetic acidSCHEMBL8118284DTXSID401274606215949-72-7[5-(Pyridin-4-yl)naphthalen-1-yl]acetic acid
Database identifiers
- CAS
215949-72-7- PubChem CID
- 54034751
- DTXSID
DTXSID401274606
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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