2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid

C10H8ClN3O4 — CID 174197941

IUPAC2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid
SMILESO=C(O)COc1cc(-c2cc(Cl)ccn2)n(O)n1
InChIInChI=1S/C10H8ClN3O4/c11-6-1-2-12-7(3-6)8-4-9(13-14(8)17)18-5-10(15)16/h1-4,17H,5H2,(H,15,16)
InChIKeyKZGUCRJJOLBQJV-UHFFFAOYSA-N
MW269.64 g/mol
LogP1.30
Rot. Bonds4

About 2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid

2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid (PubChem CID 174197941) has the molecular formula C10H8ClN3O4 and a molecular weight of 269.64 g/mol. Its IUPAC name is 2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid
PubChem CID174197941
Molecular FormulaC10H8ClN3O4
Molecular Weight269.64 g/mol
Exact Mass269.02
IUPAC Name2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid
SMILESO=C(O)COc1cc(-c2cc(Cl)ccn2)n(O)n1
InChIInChI=1S/C10H8ClN3O4/c11-6-1-2-12-7(3-6)8-4-9(13-14(8)17)18-5-10(15)16/h1-4,17H,5H2,(H,15,16)
InChIKeyKZGUCRJJOLBQJV-UHFFFAOYSA-N
XLogP1.30
TPSA97.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.64
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid?
The IUPAC name of 2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid (CID 174197941) is 2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid?
The canonical SMILES for 2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid is O=C(O)COc1cc(-c2cc(Cl)ccn2)n(O)n1.
What is the InChIKey of 2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid?
The InChIKey is KZGUCRJJOLBQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O4/c11-6-1-2-12-7(3-6)8-4-9(13-14(8)17)18-5-10(15)16/h1-4,17H,5H2,(H,15,16).
What are the key properties of 2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid?
2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid has a molecular weight of 269.64 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetic acid is sourced from PubChem (CID 174197941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).