2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine

C7H4F5NO — CID 130092162

IUPAC2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine
SMILESFCc1ccnc(F)c1OC(F)(F)F
InChIInChI=1S/C7H4F5NO/c8-3-4-1-2-13-6(9)5(4)14-7(10,11)12/h1-2H,3H2
InChIKeyYBAYXYQMCYPDGH-UHFFFAOYSA-N
MW213.10 g/mol
LogP2.59
Rot. Bonds2

About 2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine

2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine (PubChem CID 130092162) has the molecular formula C7H4F5NO and a molecular weight of 213.10 g/mol. Its IUPAC name is 2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine
PubChem CID130092162
Molecular FormulaC7H4F5NO
Molecular Weight213.10 g/mol
Exact Mass213.02
IUPAC Name2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine
SMILESFCc1ccnc(F)c1OC(F)(F)F
InChIInChI=1S/C7H4F5NO/c8-3-4-1-2-13-6(9)5(4)14-7(10,11)12/h1-2H,3H2
InChIKeyYBAYXYQMCYPDGH-UHFFFAOYSA-N
XLogP2.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine (CID 130092162) is 2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine is FCc1ccnc(F)c1OC(F)(F)F.
What is the InChIKey of 2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine?
The InChIKey is YBAYXYQMCYPDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO/c8-3-4-1-2-13-6(9)5(4)14-7(10,11)12/h1-2H,3H2.
What are the key properties of 2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine?
2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine has a molecular weight of 213.10 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130092162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).