AI60531
904326-87-0 | 2-Acetamidopyridine-5-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI60531
ChemicalName
2-Acetamidopyridine-5-boronic acid, pinacol ester
CasNumber
904326-87-0
MolecularFormula
C13H19BN2O3
MolecularWeight
262.11256
MdlNumber
MFCD08690229
Smiles
CC(=O)Nc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AI60531
ChemicalName: 2-Acetamidopyridine-5-boronic acid, pinacol ester
CasNumber: 904326-87-0
MolecularFormula: C13H19BN2O3
MolecularWeight: 262.11256
MdlNumber: MFCD08690229
Smiles: CC(=O)Nc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AI60531
ChemicalName:
2-Acetamidopyridine-5-boronic acid, pinacol ester
CasNumber:
904326-87-0
MolecularFormula:
C13H19BN2O3
MolecularWeight:
262.11256
MdlNumber:
MFCD08690229
Smiles:
CC(=O)Nc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: AI60532
ChemicalName: 6-Morpholinopyridine-3-boronic acid
CasNumber: 904326-93-8
MolecularFormula: C9H13BN2O3
MolecularWeight: 208.02212000000006
MdlNumber: MFCD03086116
Smiles: OB(c1ccc(nc1)N1CCOCC1)O
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AI60532
ChemicalName:
6-Morpholinopyridine-3-boronic acid
CasNumber:
904326-93-8
MolecularFormula:
C9H13BN2O3
MolecularWeight:
208.02212000000006
MdlNumber:
MFCD03086116
Smiles:
OB(c1ccc(nc1)N1CCOCC1)O
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
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Smiles: Cc1cc(C)c(c(c1)[N+](=O)[O-])Br
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Cc1cc(C)c(c(c1)[N+](=O)[O-])Br
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Smiles: COc1cc(ccc1CBr)[N+](=O)[O-]
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Smiles:
COc1cc(ccc1CBr)[N+](=O)[O-]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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