2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride

C7H2Cl2F3NO2 — CID 171029091

IUPAC2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(OC(F)(F)F)ccnc1Cl
InChIInChI=1S/C7H2Cl2F3NO2/c8-5-4(6(9)14)3(1-2-13-5)15-7(10,11)12/h1-2H
InChIKeyHZDOXOGUZLGUKL-UHFFFAOYSA-N
MW260.00 g/mol
LogP3.01
Rot. Bonds2

About 2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride

2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride (PubChem CID 171029091) has the molecular formula C7H2Cl2F3NO2 and a molecular weight of 260.00 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
PubChem CID171029091
Molecular FormulaC7H2Cl2F3NO2
Molecular Weight260.00 g/mol
Exact Mass258.94
IUPAC Name2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(OC(F)(F)F)ccnc1Cl
InChIInChI=1S/C7H2Cl2F3NO2/c8-5-4(6(9)14)3(1-2-13-5)15-7(10,11)12/h1-2H
InChIKeyHZDOXOGUZLGUKL-UHFFFAOYSA-N
XLogP3.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.00
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The IUPAC name of 2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride (CID 171029091) is 2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The canonical SMILES for 2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride is O=C(Cl)c1c(OC(F)(F)F)ccnc1Cl.
What is the InChIKey of 2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The InChIKey is HZDOXOGUZLGUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F3NO2/c8-5-4(6(9)14)3(1-2-13-5)15-7(10,11)12/h1-2H.
What are the key properties of 2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride?
2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride has a molecular weight of 260.00 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride is sourced from PubChem (CID 171029091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).