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(2S)-1-(2-aminochloranuidylacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(3,5-difluorophenyl)boronic acid;3-(3,5-difluorophenyl)pyridine-4-carboxylic acid;(2S)-1-[4-[3-(3,5-difluorophenyl)-4-pyridinyl]-4-oxobutanoyl]-4,4-difluoropyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-(3,5-difluorophenyl)pyridine-4-carboxylate

HCID 161970670
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
No structure available

Basic information

InChIKey
CKEOKXFCUVIHHH-YIDYHAITSA-N
Molecular formula
C65H51BBrClF12N9O11-
Average molar mass
1,488.3 g/mol

Names & identifiers

Preferred name
(2S)-1-(2-aminochloranuidylacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(3,5-difluorophenyl)boronic acid;3-(3,5-difluorophenyl)pyridine-4-carboxylic acid;(2S)-1-[4-[3-(3,5-difluorophenyl)-4-pyridinyl]-4-oxobutanoyl]-4,4-difluoropyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-(3,5-difluorophenyl)pyridine-4-carboxylate
IUPAC
(2S)-1-(2-aminochloranuidylacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(3,5-difluorophenyl)boronic acid;3-(3,5-difluorophenyl)pyridine-4-carboxylic acid;(2S)-1-[4-[3-(3,5-difluorophenyl)-4-pyridinyl]-4-oxobutanoyl]-4,4-difluoropyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-(3,5-difluorophenyl)pyridine-4-carboxylate

Database identifiers

PubChem CID
161970670

Properties

Computed structural properties

Topological polar surface area
313 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
31
Rotatable bonds
14
Heavy atoms
100
Formal charge
-1
Complexity
1,800

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes