HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 161970670Generated: November 3, 2026
(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
https://huagongshe.com/en/chemical/161970670
Identifiers & Physical Properties
| Molecular formula | C65H51BBrClF12N9O11- |
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| Average molar mass | 1,488.3 g/mol |
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| SMILES | B(C1=CC(=CC(=C1)F)F)(O)O.COC(=O)C1=C(C=NC=C1)C2=CC(=CC(=C2)F)F.COC(=O)C1=C(C=NC=C1)Br.C1[C@H](N(CC1(F)F)C(=O)CCC(=O)C2=C(C=NC=C2)C3=CC(=CC(=C3)F)F)C#N.C1[C@H](N(CC1(F)F)C(=O)C[Cl-]N)C#N.C1=CN=CC(=C1C(=O)O)C2=CC(=CC(=C2)F)F |
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| InChIKey | CKEOKXFCUVIHHH-YIDYHAITSA-N |
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| PubChem CID | 161970670 |
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Chemical & Physical Properties
| Topological polar surface area | 313 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 31 |
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| Rotatable bonds | 14 |
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| Heavy atoms | 100 |
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| Formal charge | -1 |
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| Complexity | 1,800 |
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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 molecular structure](/img/chemical/161970670.png)