2-chloro-4-(2,2,2-trifluoroethoxy)pyridine

C7H5ClF3NO — CID 51358479

IUPAC2-chloro-4-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1ccnc(Cl)c1
InChIInChI=1S/C7H5ClF3NO/c8-6-3-5(1-2-12-6)13-4-7(9,10)11/h1-3H,4H2
InChIKeyAEIHRRMIARXQBG-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.68
Rot. Bonds2

About 2-chloro-4-(2,2,2-trifluoroethoxy)pyridine

2-chloro-4-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 51358479) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 2-chloro-4-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-4-(2,2,2-trifluoroethoxy)pyridine
PubChem CID51358479
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name2-chloro-4-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1ccnc(Cl)c1
InChIInChI=1S/C7H5ClF3NO/c8-6-3-5(1-2-12-6)13-4-7(9,10)11/h1-3H,4H2
InChIKeyAEIHRRMIARXQBG-UHFFFAOYSA-N
XLogP2.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxypyridine
CID 69278
2-Chloro-4-methoxypyridine
CID 1991128
2-Chloro-3-(2,2,2-trifluoroethoxy)pyridine
CID 12056728
4-Ethoxypyridine n-oxide
CID 252479
4-Ethoxypyridine
CID 141781
3-Bromo-2-chloro-4-methoxypyridine
CID 10421125
4-(Prop-2-YN-1-yloxy)pyridine
CID 12355699
2-Fluoro-4-methoxypyridine
CID 21464361
4-Ethenoxypyridine
CID 15102885
5-Bromo-2-chloro-4-methoxypyridine
CID 49853415
2-Chloro-4-(trifluoromethoxy)pyridine
CID 49871752
2-Chloro-5-(difluoromethoxy)pyridine
CID 50989408

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-chloro-4-(2,2,2-trifluoroethoxy)pyridine (CID 51358479) is 2-chloro-4-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-chloro-4-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-chloro-4-(2,2,2-trifluoroethoxy)pyridine is FC(F)(F)COc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is AEIHRRMIARXQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-6-3-5(1-2-12-6)13-4-7(9,10)11/h1-3H,4H2.
What are the key properties of 2-chloro-4-(2,2,2-trifluoroethoxy)pyridine?
2-chloro-4-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 211.57 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 51358479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).