5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine

C12H7F2N3O — CID 163673542

IUPAC5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESFc1cc2onc(Nc3cccnc3)c2cc1F
InChIInChI=1S/C12H7F2N3O/c13-9-4-8-11(5-10(9)14)18-17-12(8)16-7-2-1-3-15-6-7/h1-6H,(H,16,17)
InChIKeyJEQQOLJLJIJUKN-UHFFFAOYSA-N
MW247.20 g/mol
LogP3.24
Rot. Bonds2

About 5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine

5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 163673542) has the molecular formula C12H7F2N3O and a molecular weight of 247.20 g/mol. Its IUPAC name is 5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine
PubChem CID163673542
Molecular FormulaC12H7F2N3O
Molecular Weight247.20 g/mol
Exact Mass247.06
IUPAC Name5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESFc1cc2onc(Nc3cccnc3)c2cc1F
InChIInChI=1S/C12H7F2N3O/c13-9-4-8-11(5-10(9)14)18-17-12(8)16-7-2-1-3-15-6-7/h1-6H,(H,16,17)
InChIKeyJEQQOLJLJIJUKN-UHFFFAOYSA-N
XLogP3.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 163673542) is 5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine is Fc1cc2onc(Nc3cccnc3)c2cc1F.
What is the InChIKey of 5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The InChIKey is JEQQOLJLJIJUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O/c13-9-4-8-11(5-10(9)14)18-17-12(8)16-7-2-1-3-15-6-7/h1-6H,(H,16,17).
What are the key properties of 5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 247.20 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 163673542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).