2-(1-benzofuran-2-yl)-5-nitro-1H-indole

C16H10N2O3 — CID 131869216

IUPAC2-(1-benzofuran-2-yl)-5-nitro-1H-indole
SMILESO=[N+]([O-])c1ccc2[nH]c(-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C16H10N2O3/c19-18(20)12-5-6-13-11(7-12)8-14(17-13)16-9-10-3-1-2-4-15(10)21-16/h1-9,17H
InChIKeyZGIHRWWDHHULKA-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.49
Rot. Bonds2

About 2-(1-benzofuran-2-yl)-5-nitro-1H-indole

2-(1-benzofuran-2-yl)-5-nitro-1H-indole (PubChem CID 131869216) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5-nitro-1H-indole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5-nitro-1H-indole
PubChem CID131869216
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name2-(1-benzofuran-2-yl)-5-nitro-1H-indole
SMILESO=[N+]([O-])c1ccc2[nH]c(-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C16H10N2O3/c19-18(20)12-5-6-13-11(7-12)8-14(17-13)16-9-10-3-1-2-4-15(10)21-16/h1-9,17H
InChIKeyZGIHRWWDHHULKA-UHFFFAOYSA-N
XLogP4.49
TPSA72.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2-(4-nitrophenyl)-1-benzofuran
CID 638459
5-nitro-2-[4-[(4-nitrophenyl)methyl]phenyl]-1H-indole
CID 15534182
bis[3-(5-nitro-1H-indol-2-yl)phenyl]methanone
CID 139625310
2-(1-benzofuran-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 130319772
6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 54261838
1H-indole;5-nitro-1H-indole
CID 172790290
5-methyl-2-(4-nitrophenyl)-1H-indole
CID 70116809
3-(1H-benzimidazol-2-yl)-6-nitrochromen-2-one
CID 747782
2-[5-(5-nitro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]phenol
CID 137155312
2-(4-aminophenyl)-1-benzofuran-5-amine;5-nitro-2-(4-nitrophenyl)-1-benzofuran
CID 157129388
5-nitro-2-propyl-1H-indole
CID 12026883
2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol
CID 136771287

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-5-nitro-1H-indole?
The IUPAC name of 2-(1-benzofuran-2-yl)-5-nitro-1H-indole (CID 131869216) is 2-(1-benzofuran-2-yl)-5-nitro-1H-indole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5-nitro-1H-indole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5-nitro-1H-indole is O=[N+]([O-])c1ccc2[nH]c(-c3cc4ccccc4o3)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5-nitro-1H-indole?
The InChIKey is ZGIHRWWDHHULKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c19-18(20)12-5-6-13-11(7-12)8-14(17-13)16-9-10-3-1-2-4-15(10)21-16/h1-9,17H.
What are the key properties of 2-(1-benzofuran-2-yl)-5-nitro-1H-indole?
2-(1-benzofuran-2-yl)-5-nitro-1H-indole has a molecular weight of 278.27 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5-nitro-1H-indole is sourced from PubChem (CID 131869216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).