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

C12H7FN2O — CID 22368566

IUPAC6-fluoro-3-pyridin-4-yl-1,2-benzoxazole
SMILESFc1ccc2c(-c3ccncc3)noc2c1
InChIInChI=1S/C12H7FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-7H
InChIKeyJLQMILPGYDOZDM-UHFFFAOYSA-N
MW214.20 g/mol
LogP3.03
Rot. Bonds1

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

6-fluoro-3-pyridin-4-yl-1,2-benzoxazole (PubChem CID 22368566) has the molecular formula C12H7FN2O and a molecular weight of 214.20 g/mol. Its IUPAC name is 6-fluoro-3-pyridin-4-yl-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-pyridin-4-yl-1,2-benzoxazole
PubChem CID22368566
Molecular FormulaC12H7FN2O
Molecular Weight214.20 g/mol
Exact Mass214.05
IUPAC Name6-fluoro-3-pyridin-4-yl-1,2-benzoxazole
SMILESFc1ccc2c(-c3ccncc3)noc2c1
InChIInChI=1S/C12H7FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-7H
InChIKeyJLQMILPGYDOZDM-UHFFFAOYSA-N
XLogP3.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-pyridin-4-yl-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-pyridin-4-yl-1,2-benzoxazole (CID 22368566) is 6-fluoro-3-pyridin-4-yl-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-pyridin-4-yl-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-pyridin-4-yl-1,2-benzoxazole is Fc1ccc2c(-c3ccncc3)noc2c1.
What is the InChIKey of 6-fluoro-3-pyridin-4-yl-1,2-benzoxazole?
The InChIKey is JLQMILPGYDOZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-7H.
What are the key properties of 6-fluoro-3-pyridin-4-yl-1,2-benzoxazole?
6-fluoro-3-pyridin-4-yl-1,2-benzoxazole has a molecular weight of 214.20 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-pyridin-4-yl-1,2-benzoxazole is sourced from PubChem (CID 22368566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).