5-nitroquinoline-2-carbaldehyde

C10H6N2O3 — CID 4737074

IUPAC5-nitroquinoline-2-carbaldehyde
SMILESO=Cc1ccc2c([N+](=O)[O-])cccc2n1
InChIInChI=1S/C10H6N2O3/c13-6-7-4-5-8-9(11-7)2-1-3-10(8)12(14)15/h1-6H
InChIKeyQRNHAJDHLIRMED-UHFFFAOYSA-N
MW202.17 g/mol
LogP1.96
Rot. Bonds2

About 5-nitroquinoline-2-carbaldehyde

5-nitroquinoline-2-carbaldehyde (PubChem CID 4737074) has the molecular formula C10H6N2O3 and a molecular weight of 202.17 g/mol. Its IUPAC name is 5-nitroquinoline-2-carbaldehyde.

Molecular Properties

Compound Name5-nitroquinoline-2-carbaldehyde
PubChem CID4737074
Molecular FormulaC10H6N2O3
Molecular Weight202.17 g/mol
Exact Mass202.04
IUPAC Name5-nitroquinoline-2-carbaldehyde
SMILESO=Cc1ccc2c([N+](=O)[O-])cccc2n1
InChIInChI=1S/C10H6N2O3/c13-6-7-4-5-8-9(11-7)2-1-3-10(8)12(14)15/h1-6H
InChIKeyQRNHAJDHLIRMED-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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Frequently Asked Questions

What is the IUPAC name of 5-nitroquinoline-2-carbaldehyde?
The IUPAC name of 5-nitroquinoline-2-carbaldehyde (CID 4737074) is 5-nitroquinoline-2-carbaldehyde.
What is the SMILES notation for 5-nitroquinoline-2-carbaldehyde?
The canonical SMILES for 5-nitroquinoline-2-carbaldehyde is O=Cc1ccc2c([N+](=O)[O-])cccc2n1.
What is the InChIKey of 5-nitroquinoline-2-carbaldehyde?
The InChIKey is QRNHAJDHLIRMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3/c13-6-7-4-5-8-9(11-7)2-1-3-10(8)12(14)15/h1-6H.
What are the key properties of 5-nitroquinoline-2-carbaldehyde?
5-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 5-nitroquinoline-2-carbaldehyde is sourced from PubChem (CID 4737074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).