2-nitro-3-phenyl-1-benzofuran-4-carbonitrile

C15H8N2O3 — CID 160751971

IUPAC2-nitro-3-phenyl-1-benzofuran-4-carbonitrile
SMILESN#Cc1cccc2oc([N+](=O)[O-])c(-c3ccccc3)c12
InChIInChI=1S/C15H8N2O3/c16-9-11-7-4-8-12-13(11)14(15(20-12)17(18)19)10-5-2-1-3-6-10/h1-8H
InChIKeyRWYFFNDAVSXFBI-UHFFFAOYSA-N
MW264.24 g/mol
LogP3.88
Rot. Bonds2

About 2-nitro-3-phenyl-1-benzofuran-4-carbonitrile

2-nitro-3-phenyl-1-benzofuran-4-carbonitrile (PubChem CID 160751971) has the molecular formula C15H8N2O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-nitro-3-phenyl-1-benzofuran-4-carbonitrile.

Molecular Properties

Compound Name2-nitro-3-phenyl-1-benzofuran-4-carbonitrile
PubChem CID160751971
Molecular FormulaC15H8N2O3
Molecular Weight264.24 g/mol
Exact Mass264.05
IUPAC Name2-nitro-3-phenyl-1-benzofuran-4-carbonitrile
SMILESN#Cc1cccc2oc([N+](=O)[O-])c(-c3ccccc3)c12
InChIInChI=1S/C15H8N2O3/c16-9-11-7-4-8-12-13(11)14(15(20-12)17(18)19)10-5-2-1-3-6-10/h1-8H
InChIKeyRWYFFNDAVSXFBI-UHFFFAOYSA-N
XLogP3.88
TPSA80.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nitro-3-phenyl-1-benzofuran-4-carbonitrile?
The IUPAC name of 2-nitro-3-phenyl-1-benzofuran-4-carbonitrile (CID 160751971) is 2-nitro-3-phenyl-1-benzofuran-4-carbonitrile.
What is the SMILES notation for 2-nitro-3-phenyl-1-benzofuran-4-carbonitrile?
The canonical SMILES for 2-nitro-3-phenyl-1-benzofuran-4-carbonitrile is N#Cc1cccc2oc([N+](=O)[O-])c(-c3ccccc3)c12.
What is the InChIKey of 2-nitro-3-phenyl-1-benzofuran-4-carbonitrile?
The InChIKey is RWYFFNDAVSXFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O3/c16-9-11-7-4-8-12-13(11)14(15(20-12)17(18)19)10-5-2-1-3-6-10/h1-8H.
What are the key properties of 2-nitro-3-phenyl-1-benzofuran-4-carbonitrile?
2-nitro-3-phenyl-1-benzofuran-4-carbonitrile has a molecular weight of 264.24 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-3-phenyl-1-benzofuran-4-carbonitrile is sourced from PubChem (CID 160751971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).