2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid

C7H4Cl3NO3 — CID 57294344

IUPAC2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid
SMILESO=C(O)C(O)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H4Cl3NO3/c8-2-1-3(9)6(10)11-4(2)5(12)7(13)14/h1,5,12H,(H,13,14)
InChIKeyFZIJSGDGAWZKCX-UHFFFAOYSA-N
MW256.47 g/mol
LogP2.16
Rot. Bonds2

About 2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid

2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid (PubChem CID 57294344) has the molecular formula C7H4Cl3NO3 and a molecular weight of 256.47 g/mol. Its IUPAC name is 2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid
PubChem CID57294344
Molecular FormulaC7H4Cl3NO3
Molecular Weight256.47 g/mol
Exact Mass254.93
IUPAC Name2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid
SMILESO=C(O)C(O)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H4Cl3NO3/c8-2-1-3(9)6(10)11-4(2)5(12)7(13)14/h1,5,12H,(H,13,14)
InChIKeyFZIJSGDGAWZKCX-UHFFFAOYSA-N
XLogP2.16
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.47
LogP ≤ 52.16
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-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid (CID 57294344) is 2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid is O=C(O)C(O)c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid?
The InChIKey is FZIJSGDGAWZKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl3NO3/c8-2-1-3(9)6(10)11-4(2)5(12)7(13)14/h1,5,12H,(H,13,14).
What are the key properties of 2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid?
2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid has a molecular weight of 256.47 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3,5,6-trichloro-2-pyridinyl)acetic acid is sourced from PubChem (CID 57294344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).