2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride

C7H3ClF3NO3 — CID 171782803

IUPAC2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)(F)F)cc(=O)[nH]c1O
InChIInChI=1S/C7H3ClF3NO3/c8-5(14)4-2(7(9,10)11)1-3(13)12-6(4)15/h1H,(H2,12,13,15)
InChIKeyGVHGSZSMJLSSNI-UHFFFAOYSA-N
MW241.55 g/mol
LogP1.48
Rot. Bonds1

About 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride

2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride (PubChem CID 171782803) has the molecular formula C7H3ClF3NO3 and a molecular weight of 241.55 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
PubChem CID171782803
Molecular FormulaC7H3ClF3NO3
Molecular Weight241.55 g/mol
Exact Mass240.98
IUPAC Name2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)(F)F)cc(=O)[nH]c1O
InChIInChI=1S/C7H3ClF3NO3/c8-5(14)4-2(7(9,10)11)1-3(13)12-6(4)15/h1H,(H2,12,13,15)
InChIKeyGVHGSZSMJLSSNI-UHFFFAOYSA-N
XLogP1.48
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.55
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride (CID 171782803) is 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1c(C(F)(F)F)cc(=O)[nH]c1O.
What is the InChIKey of 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride?
The InChIKey is GVHGSZSMJLSSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO3/c8-5(14)4-2(7(9,10)11)1-3(13)12-6(4)15/h1H,(H2,12,13,15).
What are the key properties of 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride?
2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride has a molecular weight of 241.55 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 171782803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).