AE62374
1228666-45-2 | N-(5-Bromo-2-(3-hydroxyprop-1-yn-1-yl)pyridin-3-yl)pivalamide
Manufacturer: A2B Chem
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CatalogNumber
AE62374
ChemicalName
N-(5-Bromo-2-(3-hydroxyprop-1-yn-1-yl)pyridin-3-yl)pivalamide
CasNumber
1228666-45-2
MolecularFormula
C13H15BrN2O2
MolecularWeight
311.1744
MdlNumber
MFCD16628220
Smiles
OCC#Cc1ncc(cc1NC(=O)C(C)(C)C)Br
Complexity
364
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AE62374
ChemicalName: N-(5-Bromo-2-(3-hydroxyprop-1-yn-1-yl)pyridin-3-yl)pivalamide
CasNumber: 1228666-45-2
MolecularFormula: C13H15BrN2O2
MolecularWeight: 311.1744
MdlNumber: MFCD16628220
Smiles: OCC#Cc1ncc(cc1NC(=O)C(C)(C)C)Br
Complexity: 364
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AE62374
ChemicalName:
N-(5-Bromo-2-(3-hydroxyprop-1-yn-1-yl)pyridin-3-yl)pivalamide
CasNumber:
1228666-45-2
MolecularFormula:
C13H15BrN2O2
MolecularWeight:
311.1744
MdlNumber:
MFCD16628220
Smiles:
OCC#Cc1ncc(cc1NC(=O)C(C)(C)C)Br
Complexity:
364
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cnn(c1I)C1CCCCO1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cnn(c1I)C1CCCCO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62376
ChemicalName: 5-Bromo-2-iodo-1h-pyrrolo[2,3-b]pyridine
CasNumber: 1261365-56-3
MolecularFormula: C7H4BrIN2
MolecularWeight: 322.9285
MdlNumber: MFCD18374130
Smiles: Brc1cnc2c(c1)cc([nH]2)I
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
AE62376
ChemicalName:
5-Bromo-2-iodo-1h-pyrrolo[2,3-b]pyridine
CasNumber:
1261365-56-3
MolecularFormula:
C7H4BrIN2
MolecularWeight:
322.9285
MdlNumber:
MFCD18374130
Smiles:
Brc1cnc2c(c1)cc([nH]2)I
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: AE62377
ChemicalName: 2-Bromo-6-isobutoxybenzonitrile
CasNumber: 1365272-63-4
MolecularFormula: C11H12BrNO
MolecularWeight: 254.1231
MdlNumber: MFCD21609679
Smiles: CC(COc1cccc(c1C#N)Br)C
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AE62377
ChemicalName:
2-Bromo-6-isobutoxybenzonitrile
CasNumber:
1365272-63-4
MolecularFormula:
C11H12BrNO
MolecularWeight:
254.1231
MdlNumber:
MFCD21609679
Smiles:
CC(COc1cccc(c1C#N)Br)C
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.6