3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid

C12H4F5NO3 — CID 133091355

IUPAC3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2c(F)c(F)c(F)c(F)c2F)cc1O
InChIInChI=1S/C12H4F5NO3/c13-6-5(7(14)9(16)10(17)8(6)15)3-1-4(19)11(12(20)21)18-2-3/h1-2,19H,(H,20,21)
InChIKeyPETFKFIGILSUAI-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.85
Rot. Bonds2

About 3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid

3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid (PubChem CID 133091355) has the molecular formula C12H4F5NO3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid
PubChem CID133091355
Molecular FormulaC12H4F5NO3
Molecular Weight305.16 g/mol
Exact Mass305.01
IUPAC Name3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2c(F)c(F)c(F)c(F)c2F)cc1O
InChIInChI=1S/C12H4F5NO3/c13-6-5(7(14)9(16)10(17)8(6)15)3-1-4(19)11(12(20)21)18-2-3/h1-2,19H,(H,20,21)
InChIKeyPETFKFIGILSUAI-UHFFFAOYSA-N
XLogP2.85
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid (CID 133091355) is 3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid is O=C(O)c1ncc(-c2c(F)c(F)c(F)c(F)c2F)cc1O.
What is the InChIKey of 3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid?
The InChIKey is PETFKFIGILSUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F5NO3/c13-6-5(7(14)9(16)10(17)8(6)15)3-1-4(19)11(12(20)21)18-2-3/h1-2,19H,(H,20,21).
What are the key properties of 3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid?
3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid has a molecular weight of 305.16 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 133091355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).