2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane

C43H61BBr3N7O9 — CID 158646881

About 2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane

2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane (PubChem CID 158646881) has the molecular formula C43H61BBr3N7O9 and a molecular weight of 1070.52 g/mol. Its IUPAC name is 2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane.

Molecular Properties

• Compound Name: 2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane
• PubChem CID: 158646881
• Molecular Formula: C43H61BBr3N7O9
• Molecular Weight: 1070.52 g/mol
• Exact Mass: 1067.22
• IUPAC Name: 2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane
• SMILES: C.C.CC(C)(CO)CC(=O)c1ccc(Br)cn1.CC(C)(N)CO.CC1(C)COC(c2ccc(B(O)O)cn2)=N1.CC1(C)COC(c2ccc(Br)cn2)=N1.O=C(O)c1ccc(Br)cn1
• InChI: InChI=1S/C11H14BrNO2.C10H13BN2O3.C10H11BrN2O.C6H4BrNO2.C4H11NO.2CH4/c1-11(2,7-14)5-10(15)9-4-3-8(12)6-13-9;1-10(2)6-16-9(13-10)8-4-3-7(5-12-8)11(14)15;1-10(2)6-14-9(13-10)8-4-3-7(11)5-12-8;7-4-1-2-5(6(9)10)8-3-4;1-4(2,5)3-6;;/h3-4,6,14H,5,7H2,1-2H3;3-5,14-15H,6H2,1-2H3;3-5H,6H2,1-2H3;1-3H,(H,9,10);6H,3,5H2,1-2H3;2*1H4
• InChIKey: IBBOOVBFUUVWTA-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 256.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1070.52
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane?

The IUPAC name of 2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane (CID 158646881) is 2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane.

What is the SMILES notation for 2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane?

The canonical SMILES for 2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane is C.C.CC(C)(CO)CC(=O)c1ccc(Br)cn1.CC(C)(N)CO.CC1(C)COC(c2ccc(B(O)O)cn2)=N1.CC1(C)COC(c2ccc(Br)cn2)=N1.O=C(O)c1ccc(Br)cn1.

What is the InChIKey of 2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane?

The InChIKey is IBBOOVBFUUVWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2.C10H13BN2O3.C10H11BrN2O.C6H4BrNO2.C4H11NO.2CH4/c1-11(2,7-14)5-10(15)9-4-3-8(12)6-13-9;1-10(2)6-16-9(13-10)8-4-3-7(5-12-8)11(14)15;1-10(2)6-14-9(13-10)8-4-3-7(11)5-12-8;7-4-1-2-5(6(9)10)8-3-4;1-4(2,5)3-6;;/h3-4,6,14H,5,7H2,1-2H3;3-5,14-15H,6H2,1-2H3;3-5H,6H2,1-2H3;1-3H,(H,9,10);6H,3,5H2,1-2H3;2*1H4.

What are the key properties of 2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane?

2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane has a molecular weight of 1070.52 g/mol, XLogP of 6.68, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methylpropan-1-ol;5-bromopyridine-2-carboxylic acid;2-(5-bromo-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole;1-(5-bromo-2-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid;methane is sourced from PubChem (CID 158646881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).