2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride

C7H3ClF3NO2 — CID 171547710

IUPAC2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C7H3ClF3NO2/c8-5(13)4-1-3(7(9,10)11)2-12-6(4)14/h1-2H,(H,12,14)
InChIKeyKHDVVBCJWXIZTH-UHFFFAOYSA-N
MW225.55 g/mol
LogP1.77
Rot. Bonds1

About 2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride

2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride (PubChem CID 171547710) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
PubChem CID171547710
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C7H3ClF3NO2/c8-5(13)4-1-3(7(9,10)11)2-12-6(4)14/h1-2H,(H,12,14)
InChIKeyKHDVVBCJWXIZTH-UHFFFAOYSA-N
XLogP1.77
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.55
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride (CID 171547710) is 2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride?
The InChIKey is KHDVVBCJWXIZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-5(13)4-1-3(7(9,10)11)2-12-6(4)14/h1-2H,(H,12,14).
What are the key properties of 2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride?
2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride has a molecular weight of 225.55 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 171547710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).