5-nitro-7-phenylindole-1-carboxylic acid

C15H10N2O4 — CID 141402933

IUPAC5-nitro-7-phenylindole-1-carboxylic acid
SMILESO=C(O)n1ccc2cc([N+](=O)[O-])cc(-c3ccccc3)c21
InChIInChI=1S/C15H10N2O4/c18-15(19)16-7-6-11-8-12(17(20)21)9-13(14(11)16)10-4-2-1-3-5-10/h1-9H,(H,18,19)
InChIKeyOJWPVLMDHKZWLL-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.74
Rot. Bonds2

About 5-nitro-7-phenylindole-1-carboxylic acid

5-nitro-7-phenylindole-1-carboxylic acid (PubChem CID 141402933) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 5-nitro-7-phenylindole-1-carboxylic acid.

Molecular Properties

Compound Name5-nitro-7-phenylindole-1-carboxylic acid
PubChem CID141402933
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name5-nitro-7-phenylindole-1-carboxylic acid
SMILESO=C(O)n1ccc2cc([N+](=O)[O-])cc(-c3ccccc3)c21
InChIInChI=1S/C15H10N2O4/c18-15(19)16-7-6-11-8-12(17(20)21)9-13(14(11)16)10-4-2-1-3-5-10/h1-9H,(H,18,19)
InChIKeyOJWPVLMDHKZWLL-UHFFFAOYSA-N
XLogP3.74
TPSA85.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
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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Related Compounds

1-methyl-5-nitro-7-phenylindole
CID 90152995
7-bromo-1-ethyl-5-nitroindole;1-ethyl-5-nitro-7-phenylindole
CID 159080087
5-nitro-7-(4-phenylphenyl)-1H-indole
CID 90152990
1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone
CID 11747254
5-nitro-2-phenylbenzoyl chloride
CID 21406523
(4-nitro-2-phenylphenyl) hydrogen carbonate
CID 53438460
(4-nitro-2-phenylphenyl)boronic acid
CID 150240507
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
1-methyl-6-(4-nitrophenyl)-7-phenylindole
CID 134952632
(E)-3-(4-nitro-2-phenylphenyl)prop-2-enoic acid
CID 68978009
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196

Frequently Asked Questions

What is the IUPAC name of 5-nitro-7-phenylindole-1-carboxylic acid?
The IUPAC name of 5-nitro-7-phenylindole-1-carboxylic acid (CID 141402933) is 5-nitro-7-phenylindole-1-carboxylic acid.
What is the SMILES notation for 5-nitro-7-phenylindole-1-carboxylic acid?
The canonical SMILES for 5-nitro-7-phenylindole-1-carboxylic acid is O=C(O)n1ccc2cc([N+](=O)[O-])cc(-c3ccccc3)c21.
What is the InChIKey of 5-nitro-7-phenylindole-1-carboxylic acid?
The InChIKey is OJWPVLMDHKZWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-15(19)16-7-6-11-8-12(17(20)21)9-13(14(11)16)10-4-2-1-3-5-10/h1-9H,(H,18,19).
What are the key properties of 5-nitro-7-phenylindole-1-carboxylic acid?
5-nitro-7-phenylindole-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-7-phenylindole-1-carboxylic acid is sourced from PubChem (CID 141402933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).