3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one

C13H10N2O2 — CID 3152834

IUPAC3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2ccccn2)c2ccccc21
InChIInChI=1S/C13H10N2O2/c16-13-10-6-2-1-5-9(10)12(17-13)15-11-7-3-4-8-14-11/h1-8,12H,(H,14,15)
InChIKeyZWWHJIJWPUEHHW-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.36
Rot. Bonds2

About 3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one

3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one (PubChem CID 3152834) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one
PubChem CID3152834
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2ccccn2)c2ccccc21
InChIInChI=1S/C13H10N2O2/c16-13-10-6-2-1-5-9(10)12(17-13)15-11-7-3-4-8-14-11/h1-8,12H,(H,14,15)
InChIKeyZWWHJIJWPUEHHW-UHFFFAOYSA-N
XLogP2.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one (CID 3152834) is 3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one is O=C1OC(Nc2ccccn2)c2ccccc21.
What is the InChIKey of 3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one?
The InChIKey is ZWWHJIJWPUEHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13-10-6-2-1-5-9(10)12(17-13)15-11-7-3-4-8-14-11/h1-8,12H,(H,14,15).
What are the key properties of 3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one?
3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one has a molecular weight of 226.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 3152834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).