2-(3-Bromo-5,7-difluoroquinolin-6-yl)acetic acid

HCID 59320439

Notes Reactions

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Basic information

Standard SMILES: O=C(O)Cc1c(F)cc2ncc(Br)cc2c1F
InChIKey: LHPWFLXZWVOOLZ-UHFFFAOYSA-N
Molecular formula: C11H6BrF2NO2
Average molar mass: 302.07 g/mol

Names & identifiers

Preferred name: 2-(3-Bromo-5,7-difluoroquinolin-6-yl)acetic acid
IUPAC: 2-(3-bromo-5,7-difluoroquinolin-6-yl)acetic acid

Names & synonyms

2-(3-bromo-5,7-difluoroquinolin-6-yl)acetic acidSCHEMBL3589699LHPWFLXZWVOOLZ-UHFFFAOYSA-N2-(3-bromo-5,7-difluoroquinolin-6-yl)aceticacid(3-bromo-5,7-difluoro-quinolin-6-yl)-acetic acid

Database identifiers

PubChem CID: 59320439

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 305

Related reactions

4 records

New reaction record

HRID 107173As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 192701As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 655249As productuspto-grants-2011_12

HRID 655268As reactantuspto-grants-2011_12

Compound notes

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