5-(3-nitrophenyl)-1H-indole-3-carbaldehyde

C15H10N2O3 — CID 23005016

IUPAC5-(3-nitrophenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(-c3cccc([N+](=O)[O-])c3)cc12
InChIInChI=1S/C15H10N2O3/c18-9-12-8-16-15-5-4-11(7-14(12)15)10-2-1-3-13(6-10)17(19)20/h1-9,16H
InChIKeyXZJJCYVUCRJRFN-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.56
Rot. Bonds3

About 5-(3-nitrophenyl)-1H-indole-3-carbaldehyde

5-(3-nitrophenyl)-1H-indole-3-carbaldehyde (PubChem CID 23005016) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-(3-nitrophenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-(3-nitrophenyl)-1H-indole-3-carbaldehyde
PubChem CID23005016
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name5-(3-nitrophenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(-c3cccc([N+](=O)[O-])c3)cc12
InChIInChI=1S/C15H10N2O3/c18-9-12-8-16-15-5-4-11(7-14(12)15)10-2-1-3-13(6-10)17(19)20/h1-9,16H
InChIKeyXZJJCYVUCRJRFN-UHFFFAOYSA-N
XLogP3.56
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 4186285
3-(3-formyl-1H-indol-5-yl)benzoic acid
CID 4186391
5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-indole-3-carbaldehyde
CID 123253866
2-(3-nitrophenyl)pyridine-3-carbaldehyde
CID 2764566
formic acid;1-nitro-3-phenylbenzene
CID 158057338
5-(fluoromethyl)-1H-indole-3-carbaldehyde
CID 163735426
5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole
CID 53391624
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2-methoxy-3-(3-nitrophenyl)benzaldehyde;2-methoxy-3-phenylbenzaldehyde
CID 160754801
N-[(E)-1H-indol-3-ylmethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 86261450
6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole
CID 53391939
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrophenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5-(3-nitrophenyl)-1H-indole-3-carbaldehyde (CID 23005016) is 5-(3-nitrophenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-(3-nitrophenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-(3-nitrophenyl)-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2ccc(-c3cccc([N+](=O)[O-])c3)cc12.
What is the InChIKey of 5-(3-nitrophenyl)-1H-indole-3-carbaldehyde?
The InChIKey is XZJJCYVUCRJRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-9-12-8-16-15-5-4-11(7-14(12)15)10-2-1-3-13(6-10)17(19)20/h1-9,16H.
What are the key properties of 5-(3-nitrophenyl)-1H-indole-3-carbaldehyde?
5-(3-nitrophenyl)-1H-indole-3-carbaldehyde has a molecular weight of 266.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 23005016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).