1-nitro-2-phenylindole

C14H10N2O2 — CID 142605461

IUPAC1-nitro-2-phenylindole
SMILESO=[N+]([O-])n1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C14H10N2O2/c17-16(18)15-13-9-5-4-8-12(13)10-14(15)11-6-2-1-3-7-11/h1-10H
InChIKeyBSOYJPDYXWFFPB-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.35
Rot. Bonds2

About 1-nitro-2-phenylindole

1-nitro-2-phenylindole (PubChem CID 142605461) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-nitro-2-phenylindole.

Molecular Properties

Compound Name1-nitro-2-phenylindole
PubChem CID142605461
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name1-nitro-2-phenylindole
SMILESO=[N+]([O-])n1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C14H10N2O2/c17-16(18)15-13-9-5-4-8-12(13)10-14(15)11-6-2-1-3-7-11/h1-10H
InChIKeyBSOYJPDYXWFFPB-UHFFFAOYSA-N
XLogP3.35
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 1-nitro-2-phenylindole?
The IUPAC name of 1-nitro-2-phenylindole (CID 142605461) is 1-nitro-2-phenylindole.
What is the SMILES notation for 1-nitro-2-phenylindole?
The canonical SMILES for 1-nitro-2-phenylindole is O=[N+]([O-])n1c(-c2ccccc2)cc2ccccc21.
What is the InChIKey of 1-nitro-2-phenylindole?
The InChIKey is BSOYJPDYXWFFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-16(18)15-13-9-5-4-8-12(13)10-14(15)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 1-nitro-2-phenylindole?
1-nitro-2-phenylindole has a molecular weight of 238.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-phenylindole is sourced from PubChem (CID 142605461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).