3-(5-Chloro-3-fluoropyridin-2-yl)-2-methyl-3-oxopropionic acid tert-butyl ester

HCID 22013577

Basic information

Standard SMILES
CC(C(=O)OC(C)(C)C)C(=O)c1ncc(Cl)cc1F
InChIKey
YQMOEWJWMBWGDQ-UHFFFAOYSA-N
Molecular formula
C13H15ClFNO3
Average molar mass
287.71 g/mol
Monoisotopic mass
287.0724492

Names & identifiers

Preferred name
3-(5-Chloro-3-fluoropyridin-2-yl)-2-methyl-3-oxopropionic acid tert-butyl ester
IUPAC
tert-butyl 3-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-3-oxopropanoate

Names & synonyms

SCHEMBL7690093YQMOEWJWMBWGDQ-UHFFFAOYSA-N3- (5-chloro-3-fluoropyridin-2-yl)-2-methyl-3-oxopropionic acid tert-but yl ester3-(5-Chloro-3-fluoropyridin-2-yl)-2-methyl-3-oxopropionic acid tert-butyl ester

Database identifiers

PubChem CID
22013577

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
56.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
19

Related reactions

4 records

Compound notes

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