8-hydroxyquinolin-1-ium-2-carbaldehyde chloride

C10H8ClNO2 — CID 160865598

IUPAC8-hydroxyquinolin-1-ium-2-carbaldehyde chloride
SMILESO=Cc1ccc2cccc(O)c2[nH+]1.[Cl-]
InChIInChI=1S/C10H7NO2.ClH/c12-6-8-5-4-7-2-1-3-9(13)10(7)11-8;/h1-6,13H;1H
InChIKeyAYEPFJZNCHNHSW-UHFFFAOYSA-N
MW209.63 g/mol
LogP-1.82
Rot. Bonds1

About 8-hydroxyquinolin-1-ium-2-carbaldehyde chloride

8-hydroxyquinolin-1-ium-2-carbaldehyde chloride (PubChem CID 160865598) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 8-hydroxyquinolin-1-ium-2-carbaldehyde chloride.

Molecular Properties

Compound Name8-hydroxyquinolin-1-ium-2-carbaldehyde chloride
PubChem CID160865598
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name8-hydroxyquinolin-1-ium-2-carbaldehyde chloride
SMILESO=Cc1ccc2cccc(O)c2[nH+]1.[Cl-]
InChIInChI=1S/C10H7NO2.ClH/c12-6-8-5-4-7-2-1-3-9(13)10(7)11-8;/h1-6,13H;1H
InChIKeyAYEPFJZNCHNHSW-UHFFFAOYSA-N
XLogP-1.82
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 5-1.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 8-hydroxyquinolin-1-ium-2-carbaldehyde chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium quinolin-1-ium-8-ol
CID 166010386
bis(quinolin-1-ium-8-ol);sulfate
CID 8639
3-hydroxy-2-methylnaphthalene-1-carbaldehyde
CID 22259589
7-hydroxy-8-methylnaphthalene-1-carbaldehyde
CID 176847808
bis(naphthalen-1-ol);titanium(2+);dichloride
CID 21243627
2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
bis(naphthalen-1-ol);zirconium(2+);dichloride
CID 21243616
4-hydroxynaphthalene-2-carbaldehyde
CID 22498210
phthalate;bis(quinolin-1-ium-8-ol)
CID 163359214
2-(2-anthracen-9-ylethynyl)-6-hydroxybenzaldehyde
CID 101156959
2,3-dihydroxybenzaldehyde
CID 159243971
2,4-dihydroxyphenanthrene-3-carbaldehyde
CID 102282696

Frequently Asked Questions

What is the IUPAC name of 8-hydroxyquinolin-1-ium-2-carbaldehyde chloride?
The IUPAC name of 8-hydroxyquinolin-1-ium-2-carbaldehyde chloride (CID 160865598) is 8-hydroxyquinolin-1-ium-2-carbaldehyde chloride.
What is the SMILES notation for 8-hydroxyquinolin-1-ium-2-carbaldehyde chloride?
The canonical SMILES for 8-hydroxyquinolin-1-ium-2-carbaldehyde chloride is O=Cc1ccc2cccc(O)c2[nH+]1.[Cl-].
What is the InChIKey of 8-hydroxyquinolin-1-ium-2-carbaldehyde chloride?
The InChIKey is AYEPFJZNCHNHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.ClH/c12-6-8-5-4-7-2-1-3-9(13)10(7)11-8;/h1-6,13H;1H.
What are the key properties of 8-hydroxyquinolin-1-ium-2-carbaldehyde chloride?
8-hydroxyquinolin-1-ium-2-carbaldehyde chloride has a molecular weight of 209.63 g/mol, XLogP of -1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyquinolin-1-ium-2-carbaldehyde chloride is sourced from PubChem (CID 160865598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).