3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile

C15H11FN2O2 — CID 60990182

IUPAC3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile
SMILESN#CC1(Nc2cccc(F)c2)COc2cc(O)ccc21
InChIInChI=1S/C15H11FN2O2/c16-10-2-1-3-11(6-10)18-15(8-17)9-20-14-7-12(19)4-5-13(14)15/h1-7,18-19H,9H2
InChIKeyKYKMBLKECWJXRV-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.75
Rot. Bonds2

About 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile

3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile (PubChem CID 60990182) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile
PubChem CID60990182
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile
SMILESN#CC1(Nc2cccc(F)c2)COc2cc(O)ccc21
InChIInChI=1S/C15H11FN2O2/c16-10-2-1-3-11(6-10)18-15(8-17)9-20-14-7-12(19)4-5-13(14)15/h1-7,18-19H,9H2
InChIKeyKYKMBLKECWJXRV-UHFFFAOYSA-N
XLogP2.75
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile?
The IUPAC name of 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile (CID 60990182) is 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile?
The canonical SMILES for 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile is N#CC1(Nc2cccc(F)c2)COc2cc(O)ccc21.
What is the InChIKey of 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile?
The InChIKey is KYKMBLKECWJXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-10-2-1-3-11(6-10)18-15(8-17)9-20-14-7-12(19)4-5-13(14)15/h1-7,18-19H,9H2.
What are the key properties of 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile?
3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile has a molecular weight of 270.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 60990182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).