2,4-dichloro-5-hydroxypyridine-3-carboxylic acid

C6H3Cl2NO3 — CID 141452317

IUPAC2,4-dichloro-5-hydroxypyridine-3-carboxylic acid
SMILESO=C(O)c1c(Cl)ncc(O)c1Cl
InChIInChI=1S/C6H3Cl2NO3/c7-4-2(10)1-9-5(8)3(4)6(11)12/h1,10H,(H,11,12)
InChIKeyZTFCDZLNVHMWQL-UHFFFAOYSA-N
MW208.00 g/mol
LogP1.79
Rot. Bonds1

About 2,4-dichloro-5-hydroxypyridine-3-carboxylic acid

2,4-dichloro-5-hydroxypyridine-3-carboxylic acid (PubChem CID 141452317) has the molecular formula C6H3Cl2NO3 and a molecular weight of 208.00 g/mol. Its IUPAC name is 2,4-dichloro-5-hydroxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dichloro-5-hydroxypyridine-3-carboxylic acid
PubChem CID141452317
Molecular FormulaC6H3Cl2NO3
Molecular Weight208.00 g/mol
Exact Mass206.95
IUPAC Name2,4-dichloro-5-hydroxypyridine-3-carboxylic acid
SMILESO=C(O)c1c(Cl)ncc(O)c1Cl
InChIInChI=1S/C6H3Cl2NO3/c7-4-2(10)1-9-5(8)3(4)6(11)12/h1,10H,(H,11,12)
InChIKeyZTFCDZLNVHMWQL-UHFFFAOYSA-N
XLogP1.79
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 51.79
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 2,4-dichloro-5-hydroxypyridine-3-carboxylic acid?
The IUPAC name of 2,4-dichloro-5-hydroxypyridine-3-carboxylic acid (CID 141452317) is 2,4-dichloro-5-hydroxypyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-dichloro-5-hydroxypyridine-3-carboxylic acid?
The canonical SMILES for 2,4-dichloro-5-hydroxypyridine-3-carboxylic acid is O=C(O)c1c(Cl)ncc(O)c1Cl.
What is the InChIKey of 2,4-dichloro-5-hydroxypyridine-3-carboxylic acid?
The InChIKey is ZTFCDZLNVHMWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO3/c7-4-2(10)1-9-5(8)3(4)6(11)12/h1,10H,(H,11,12).
What are the key properties of 2,4-dichloro-5-hydroxypyridine-3-carboxylic acid?
2,4-dichloro-5-hydroxypyridine-3-carboxylic acid has a molecular weight of 208.00 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-hydroxypyridine-3-carboxylic acid is sourced from PubChem (CID 141452317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).