8-nitroquinoline-2-carbaldehyde

C10H6N2O3 — CID 4737073

IUPAC8-nitroquinoline-2-carbaldehyde
SMILESO=Cc1ccc2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C10H6N2O3/c13-6-8-5-4-7-2-1-3-9(12(14)15)10(7)11-8/h1-6H
InChIKeyQFMSLUNYDZHKBD-UHFFFAOYSA-N
MW202.17 g/mol
LogP1.96
Rot. Bonds2

About 8-nitroquinoline-2-carbaldehyde

8-nitroquinoline-2-carbaldehyde (PubChem CID 4737073) has the molecular formula C10H6N2O3 and a molecular weight of 202.17 g/mol. Its IUPAC name is 8-nitroquinoline-2-carbaldehyde.

Molecular Properties

Compound Name8-nitroquinoline-2-carbaldehyde
PubChem CID4737073
Molecular FormulaC10H6N2O3
Molecular Weight202.17 g/mol
Exact Mass202.04
IUPAC Name8-nitroquinoline-2-carbaldehyde
SMILESO=Cc1ccc2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C10H6N2O3/c13-6-8-5-4-7-2-1-3-9(12(14)15)10(7)11-8/h1-6H
InChIKeyQFMSLUNYDZHKBD-UHFFFAOYSA-N
XLogP1.96
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-Quinolinecarboxamide, N-hydroxy-
CID 148031
2-Quinolinecarboxaldehyde
CID 79619
1,10-Phenanthroline-2,9-dicarboxaldehyde
CID 602123
6-Fluoroquinoline-2-carbaldehyde
CID 3159605
5-Nitroquinoline-2-carbaldehyde
CID 4737074
4-Methylquinoline-2-carbaldehyde
CID 12735795
tert-Butyl (2-formylquinolin-8-yl)carbamate
CID 15525200
3-Methylquinoline-2-carbaldehyde
CID 22832126
8-Nitroquinoline-2-carboxylic acid
CID 85075
N-(2-nitrophenyl)quinoline-2-carboxamide
CID 3449483
8-Nitro-7-quinolinecarboxaldehyde
CID 11769554
7,8-Difluoroquinoline-2-carbaldehyde
CID 71464270

Frequently Asked Questions

What is the IUPAC name of 8-nitroquinoline-2-carbaldehyde?
The IUPAC name of 8-nitroquinoline-2-carbaldehyde (CID 4737073) is 8-nitroquinoline-2-carbaldehyde.
What is the SMILES notation for 8-nitroquinoline-2-carbaldehyde?
The canonical SMILES for 8-nitroquinoline-2-carbaldehyde is O=Cc1ccc2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 8-nitroquinoline-2-carbaldehyde?
The InChIKey is QFMSLUNYDZHKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3/c13-6-8-5-4-7-2-1-3-9(12(14)15)10(7)11-8/h1-6H.
What are the key properties of 8-nitroquinoline-2-carbaldehyde?
8-nitroquinoline-2-carbaldehyde has a molecular weight of 202.17 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitroquinoline-2-carbaldehyde is sourced from PubChem (CID 4737073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).