CAS
90350-40-6 Purity
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90350-40-6 Purity
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2-Cyanopyridine-4-boronic acid
CAS
903513-60-0
Catalog Number
ACM903513600
Category
Other Products
Molecular Weight
147.927100 [g/mol]
Molecular Formula
C6H5BN2O2
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Specification
Synonyms
2-Cyanopyridine-4-boronic acid, (2-CYANOPYRIDIN-4-YL)BORONIC ACID, 903513-60-0, PubChem23551, SureCN2727397, CTK8E4004, AKOS006304108, AB57821, B-(2-CYANO-4-PYRIDINYL)-BORONIC ACID
IUPAC Name
(2-cyanopyridin-4-yl)boronic acid
Canonical SMILES
B(C1=CC(=NC=C1)C#N)(O)O
InChI Key
MSBPWGHYNOCHGC-UHFFFAOYSA-N
Exact Mass
148.04400
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 2-Cyanopyridine-4-boronic acid?
The molecular formula is C6H5BN2O2.
What is the molecular weight of 2-Cyanopyridine-4-boronic acid?
The molecular weight is 147.93 g/mol.
What is the IUPAC name of 2-Cyanopyridine-4-boronic acid?
The IUPAC name is (2-cyanopyridin-4-yl)boronic acid.
What is the InChI of 2-Cyanopyridine-4-boronic acid?
The InChI is InChI=1S/C6H5BN2O2/c8-4-6-3-5(7(10)11)1-2-9-6/h1-3,10-11H.
What is the InChIKey of 2-Cyanopyridine-4-boronic acid?
The InChIKey is MSBPWGHYNOCHGC-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Cyanopyridine-4-boronic acid?
The Canonical SMILES is B(C1=CC(=NC=C1)C#N)(O)O.
What is the CAS number of 2-Cyanopyridine-4-boronic acid?
The CAS number is 903513-60-0.
What is the European Community (EC) number of 2-Cyanopyridine-4-boronic acid?
The European Community (EC) number is 887-359-4.
What is the DSSTox Substance ID of 2-Cyanopyridine-4-boronic acid?
The DSSTox Substance ID is DTXSID70678194.
Is the compound canonicalized?
Yes, the compound is canonicalized.
Downstream Synthesis Route 1
- 903513-60-0
- 112121-86-5
- 2676864-05-2
Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - WO2021/150574, 2021, A1 Location in patent: Paragraph 0730; 0732
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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