2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid

C12H8ClNO3 — CID 53222558

IUPAC2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2O)cnc1Cl
InChIInChI=1S/C12H8ClNO3/c13-11-9(12(16)17)5-7(6-14-11)8-3-1-2-4-10(8)15/h1-6,15H,(H,16,17)
InChIKeyZIUOMCSIRANHSD-UHFFFAOYSA-N
MW249.65 g/mol
LogP2.81
Rot. Bonds2

About 2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid

2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid (PubChem CID 53222558) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid
PubChem CID53222558
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2O)cnc1Cl
InChIInChI=1S/C12H8ClNO3/c13-11-9(12(16)17)5-7(6-14-11)8-3-1-2-4-10(8)15/h1-6,15H,(H,16,17)
InChIKeyZIUOMCSIRANHSD-UHFFFAOYSA-N
XLogP2.81
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid (CID 53222558) is 2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid is O=C(O)c1cc(-c2ccccc2O)cnc1Cl.
What is the InChIKey of 2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is ZIUOMCSIRANHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-11-9(12(16)17)5-7(6-14-11)8-3-1-2-4-10(8)15/h1-6,15H,(H,16,17).
What are the key properties of 2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid?
2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 249.65 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53222558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).