2-chloro-8-hydroxyquinoline-4-carboxylic acid

C10H6ClNO3 — CID 115034200

IUPAC2-chloro-8-hydroxyquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc2c(O)cccc12
InChIInChI=1S/C10H6ClNO3/c11-8-4-6(10(14)15)5-2-1-3-7(13)9(5)12-8/h1-4,13H,(H,14,15)
InChIKeyLPCYNQVOQRIWGL-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.29
Rot. Bonds1

About 2-chloro-8-hydroxyquinoline-4-carboxylic acid

2-chloro-8-hydroxyquinoline-4-carboxylic acid (PubChem CID 115034200) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 2-chloro-8-hydroxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-8-hydroxyquinoline-4-carboxylic acid
PubChem CID115034200
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name2-chloro-8-hydroxyquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc2c(O)cccc12
InChIInChI=1S/C10H6ClNO3/c11-8-4-6(10(14)15)5-2-1-3-7(13)9(5)12-8/h1-4,13H,(H,14,15)
InChIKeyLPCYNQVOQRIWGL-UHFFFAOYSA-N
XLogP2.29
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid
CID 91190343
2-carbamoyl-8-chloroquinoline-4-carboxylic acid
CID 118172273
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid
CID 82184176
8-chloro-3-hydroxynaphthalene-2-carboxylic acid
CID 155346108
8-hydroxyquinoline-5-carboxylic acid;hydrobromide
CID 122236270
3-chloroquinoxaline-5-carboxylic acid
CID 115026152
8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid
CID 15179627
tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid
CID 162016454
bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid
CID 175208993
6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid
CID 154201700
6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylic acid
CID 169206112

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-hydroxyquinoline-4-carboxylic acid?
The IUPAC name of 2-chloro-8-hydroxyquinoline-4-carboxylic acid (CID 115034200) is 2-chloro-8-hydroxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-chloro-8-hydroxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-chloro-8-hydroxyquinoline-4-carboxylic acid is O=C(O)c1cc(Cl)nc2c(O)cccc12.
What is the InChIKey of 2-chloro-8-hydroxyquinoline-4-carboxylic acid?
The InChIKey is LPCYNQVOQRIWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-8-4-6(10(14)15)5-2-1-3-7(13)9(5)12-8/h1-4,13H,(H,14,15).
What are the key properties of 2-chloro-8-hydroxyquinoline-4-carboxylic acid?
2-chloro-8-hydroxyquinoline-4-carboxylic acid has a molecular weight of 223.62 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-hydroxyquinoline-4-carboxylic acid is sourced from PubChem (CID 115034200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).