2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine

C7H4ClF4NO — CID 90315362

IUPAC2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine
SMILESFc1cc(OCC(F)(F)F)cnc1Cl
InChIInChI=1S/C7H4ClF4NO/c8-6-5(9)1-4(2-13-6)14-3-7(10,11)12/h1-2H,3H2
InChIKeyPXKRQBYUPHCBFV-UHFFFAOYSA-N
MW229.56 g/mol
LogP2.82
Rot. Bonds2

About 2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine

2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 90315362) has the molecular formula C7H4ClF4NO and a molecular weight of 229.56 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine
PubChem CID90315362
Molecular FormulaC7H4ClF4NO
Molecular Weight229.56 g/mol
Exact Mass228.99
IUPAC Name2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine
SMILESFc1cc(OCC(F)(F)F)cnc1Cl
InChIInChI=1S/C7H4ClF4NO/c8-6-5(9)1-4(2-13-6)14-3-7(10,11)12/h1-2H,3H2
InChIKeyPXKRQBYUPHCBFV-UHFFFAOYSA-N
XLogP2.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.56
LogP ≤ 52.82
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

2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol
CID 155272542
1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
CID 77402493
2-(6-chloro-5-fluoro-3-pyridinyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 162543824
2-(bromomethyl)-1,3-difluoro-5-(2,2,2-trifluoroethoxy)benzene
CID 118975363
(1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
CID 67289741
2,3-dichloro-5-(2-fluoroethoxy)pyridine
CID 132590774
3-(azetidin-1-yl)-5-(2,2,2-trifluoroethoxy)pyridine
CID 171552910
1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 175665868
1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 137364358
6-chloro-5-fluoropyridine-3-thiol
CID 119019568
2-chloro-5-ethenyl-3-fluoropyridine
CID 74891863
1-chloro-2-fluoro-4-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106706442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine (CID 90315362) is 2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine is Fc1cc(OCC(F)(F)F)cnc1Cl.
What is the InChIKey of 2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is PXKRQBYUPHCBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF4NO/c8-6-5(9)1-4(2-13-6)14-3-7(10,11)12/h1-2H,3H2.
What are the key properties of 2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine?
2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 229.56 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 90315362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).