2-Chloro-6-methyl-isonicotinic acid tert-butyl ester

HCID 86040366
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Basic information

Standard SMILES
Cc1cc(C(=O)OC(C)(C)C)cc(Cl)n1
InChIKey
WZWKODYUZDFLPG-UHFFFAOYSA-N
Molecular formula
C11H14ClNO2
Average molar mass
227.69 g/mol
Monoisotopic mass
227.0713064

Names & identifiers

Preferred name
2-Chloro-6-methyl-isonicotinic acid tert-butyl ester
IUPAC
tert-butyl 2-chloro-6-methylpyridine-4-carboxylate

Names & synonyms

2-Chloro-6-methyl-isonicotinic acid tert-butyl ester849226-45-52-chloro-6-methyl-isonicotinic acid tert.-butyl esterSCHEMBL1425447WZWKODYUZDFLPG-UHFFFAOYSA-NDB-338291

Database identifiers

PubChem CID
86040366

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15

Related reactions

15 records
New reaction record

Linked notes

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