2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid

C12H4F5NO3 — CID 133091347

IUPAC2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]cc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H4F5NO3/c13-7-6(8(14)10(16)11(17)9(7)15)4-2-18-5(19)1-3(4)12(20)21/h1-2H,(H,18,19)(H,20,21)
InChIKeyTXPMCSNKGZAOQN-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.44
Rot. Bonds2

About 2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid

2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid (PubChem CID 133091347) has the molecular formula C12H4F5NO3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid
PubChem CID133091347
Molecular FormulaC12H4F5NO3
Molecular Weight305.16 g/mol
Exact Mass305.01
IUPAC Name2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]cc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H4F5NO3/c13-7-6(8(14)10(16)11(17)9(7)15)4-2-18-5(19)1-3(4)12(20)21/h1-2H,(H,18,19)(H,20,21)
InChIKeyTXPMCSNKGZAOQN-UHFFFAOYSA-N
XLogP2.44
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53223813
2-oxo-5-phenyl-1H-pyridine-4-carboxylic acid
CID 46314981
2-oxo-5-(3,4,5-trichlorophenyl)-1H-pyridine-4-carboxylic acid
CID 133092325
5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53223404
5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53222685
5-(2-fluoro-5-methoxycarbonylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53224135
5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid
CID 53222732
5-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53223742
2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid
CID 53224626
copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride
CID 173026508
3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid
CID 82412213
2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid
CID 131870465

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid (CID 133091347) is 2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]cc1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid?
The InChIKey is TXPMCSNKGZAOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F5NO3/c13-7-6(8(14)10(16)11(17)9(7)15)4-2-18-5(19)1-3(4)12(20)21/h1-2H,(H,18,19)(H,20,21).
What are the key properties of 2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid?
2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid has a molecular weight of 305.16 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 133091347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).