3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride

C8H5ClF3NO2 — CID 87259286

IUPAC3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride
SMILESO=C(Cl)c1ccncc1OCC(F)(F)F
InChIInChI=1S/C8H5ClF3NO2/c9-7(14)5-1-2-13-3-6(5)15-4-8(10,11)12/h1-3H,4H2
InChIKeyQUGVSCRCXFWAEJ-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.40
Rot. Bonds3

About 3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride

3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride (PubChem CID 87259286) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride
PubChem CID87259286
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Name3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride
SMILESO=C(Cl)c1ccncc1OCC(F)(F)F
InChIInChI=1S/C8H5ClF3NO2/c9-7(14)5-1-2-13-3-6(5)15-4-8(10,11)12/h1-3H,4H2
InChIKeyQUGVSCRCXFWAEJ-UHFFFAOYSA-N
XLogP2.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 130088891
2-chloro-3-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 142796514
N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 153405710
[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]boronic acid
CID 131699870
methanol;methyl 3-(trifluoromethyl)pyridine-4-carboxylate;3-(trifluoromethyl)pyridine-4-carbonyl chloride
CID 158055243
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133467997
3-(chloromethyl)pyridine-4-carbonyl chloride
CID 142681403
1-(3-ethoxy-4-pyridinyl)ethanone
CID 83873268
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(2,2,2-trifluoroethoxy)pyridine
CID 71302686
8-(2,2,2-trifluoroethoxy)isoquinolin-5-amine
CID 103139582
3-(trifluoromethoxy)pyridine-4-carboxamide
CID 130088898

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride (CID 87259286) is 3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride is O=C(Cl)c1ccncc1OCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride?
The InChIKey is QUGVSCRCXFWAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c9-7(14)5-1-2-13-3-6(5)15-4-8(10,11)12/h1-3H,4H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride?
3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride has a molecular weight of 239.58 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride is sourced from PubChem (CID 87259286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).