6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole

C12H6BrFN2O — CID 58830628

IUPAC6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole
SMILESFc1cc2c(-c3ccncc3)noc2cc1Br
InChIInChI=1S/C12H6BrFN2O/c13-9-6-11-8(5-10(9)14)12(16-17-11)7-1-3-15-4-2-7/h1-6H
InChIKeyVARZKPDHEQCVRN-UHFFFAOYSA-N
MW293.09 g/mol
LogP3.79
Rot. Bonds1

About 6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole

6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole (PubChem CID 58830628) has the molecular formula C12H6BrFN2O and a molecular weight of 293.09 g/mol. Its IUPAC name is 6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole.

Molecular Properties

Compound Name6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole
PubChem CID58830628
Molecular FormulaC12H6BrFN2O
Molecular Weight293.09 g/mol
Exact Mass291.96
IUPAC Name6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole
SMILESFc1cc2c(-c3ccncc3)noc2cc1Br
InChIInChI=1S/C12H6BrFN2O/c13-9-6-11-8(5-10(9)14)12(16-17-11)7-1-3-15-4-2-7/h1-6H
InChIKeyVARZKPDHEQCVRN-UHFFFAOYSA-N
XLogP3.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole?
The IUPAC name of 6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole (CID 58830628) is 6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole.
What is the SMILES notation for 6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole?
The canonical SMILES for 6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole is Fc1cc2c(-c3ccncc3)noc2cc1Br.
What is the InChIKey of 6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole?
The InChIKey is VARZKPDHEQCVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN2O/c13-9-6-11-8(5-10(9)14)12(16-17-11)7-1-3-15-4-2-7/h1-6H.
What are the key properties of 6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole?
6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole has a molecular weight of 293.09 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-3-pyridin-4-yl-1,2-benzoxazole is sourced from PubChem (CID 58830628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).