4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine

C15H12Br3N3O — CID 160862172

IUPAC4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine
SMILESBrc1cncc(Br)c1.Cc1noc(C)c1-c1cncc(Br)c1
InChIInChI=1S/C10H9BrN2O.C5H3Br2N/c1-6-10(7(2)14-13-6)8-3-9(11)5-12-4-8;6-4-1-5(7)3-8-2-4/h3-5H,1-2H3;1-3H
InChIKeySKQBPIBTEGQTGP-UHFFFAOYSA-N
MW489.99 g/mol
LogP5.72
Rot. Bonds1

About 4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine

4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine (PubChem CID 160862172) has the molecular formula C15H12Br3N3O and a molecular weight of 489.99 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine
PubChem CID160862172
Molecular FormulaC15H12Br3N3O
Molecular Weight489.99 g/mol
Exact Mass486.85
IUPAC Name4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine
SMILESBrc1cncc(Br)c1.Cc1noc(C)c1-c1cncc(Br)c1
InChIInChI=1S/C10H9BrN2O.C5H3Br2N/c1-6-10(7(2)14-13-6)8-3-9(11)5-12-4-8;6-4-1-5(7)3-8-2-4/h3-5H,1-2H3;1-3H
InChIKeySKQBPIBTEGQTGP-UHFFFAOYSA-N
XLogP5.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.99
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine (CID 160862172) is 4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine is Brc1cncc(Br)c1.Cc1noc(C)c1-c1cncc(Br)c1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine?
The InChIKey is SKQBPIBTEGQTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O.C5H3Br2N/c1-6-10(7(2)14-13-6)8-3-9(11)5-12-4-8;6-4-1-5(7)3-8-2-4/h3-5H,1-2H3;1-3H.
What are the key properties of 4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine?
4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine has a molecular weight of 489.99 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine is sourced from PubChem (CID 160862172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).