2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole

C15H13BrN2O — CID 70561874

IUPAC2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole
SMILESBrCc1ccc(-c2ccccn2)cc1.c1cocn1
InChIInChI=1S/C12H10BrN.C3H3NO/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;1-2-5-3-4-1/h1-8H,9H2;1-3H
InChIKeyHBZAAQONRYVIDY-UHFFFAOYSA-N
MW317.19 g/mol
LogP4.32
Rot. Bonds2

About 2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole

2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole (PubChem CID 70561874) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole.

Molecular Properties

Compound Name2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole
PubChem CID70561874
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole
SMILESBrCc1ccc(-c2ccccn2)cc1.c1cocn1
InChIInChI=1S/C12H10BrN.C3H3NO/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;1-2-5-3-4-1/h1-8H,9H2;1-3H
InChIKeyHBZAAQONRYVIDY-UHFFFAOYSA-N
XLogP4.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole?
The IUPAC name of 2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole (CID 70561874) is 2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole.
What is the SMILES notation for 2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole?
The canonical SMILES for 2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole is BrCc1ccc(-c2ccccn2)cc1.c1cocn1.
What is the InChIKey of 2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole?
The InChIKey is HBZAAQONRYVIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN.C3H3NO/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;1-2-5-3-4-1/h1-8H,9H2;1-3H.
What are the key properties of 2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole?
2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole has a molecular weight of 317.19 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)phenyl]pyridine;1,3-oxazole is sourced from PubChem (CID 70561874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).