6-(2-Benzyloxyethoxy)-2-methylnicotinic acid

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Basic information

CAS: 888022-64-8
Standard SMILES: Cc1nc(OCCOCc2ccccc2)ccc1C(=O)O
InChIKey: VUTAKXDUSYRDKU-UHFFFAOYSA-N
Molecular formula: C16H17NO4
Average molar mass: 287.31 g/mol
Monoisotopic mass: 287.11575802

Names & identifiers

Preferred name: 6-(2-Benzyloxyethoxy)-2-methylnicotinic acid
IUPAC: 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylic acid

Names & synonyms

SCHEMBL5191729VUTAKXDUSYRDKU-UHFFFAOYSA-NDTXSID4011797196-(2-benzyloxyethoxy)-2-methylnicotinic acid6-[2-(Benzyloxy)ethoxy]-2-methylpyridine-3-carboxylic acid2-Methyl-6-[2-(phenylmethoxy)ethoxy]-3-pyridinecarboxylic acid888022-64-8

Database identifiers

CAS: 888022-64-8
PubChem CID: 69348142
DTXSID: DTXSID401179719

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 68.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 317

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