2-fluoro-3,6-bis(trifluoromethyl)pyridine

C7H2F7N — CID 133095208

IUPAC2-fluoro-3,6-bis(trifluoromethyl)pyridine
SMILESFc1nc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C7H2F7N/c8-5-3(6(9,10)11)1-2-4(15-5)7(12,13)14/h1-2H
InChIKeyFQMWGZSXWROALP-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.26
Rot. Bonds

About 2-fluoro-3,6-bis(trifluoromethyl)pyridine

2-fluoro-3,6-bis(trifluoromethyl)pyridine (PubChem CID 133095208) has the molecular formula C7H2F7N and a molecular weight of 233.09 g/mol. Its IUPAC name is 2-fluoro-3,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-3,6-bis(trifluoromethyl)pyridine
PubChem CID133095208
Molecular FormulaC7H2F7N
Molecular Weight233.09 g/mol
Exact Mass233.01
IUPAC Name2-fluoro-3,6-bis(trifluoromethyl)pyridine
SMILESFc1nc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C7H2F7N/c8-5-3(6(9,10)11)1-2-4(15-5)7(12,13)14/h1-2H
InChIKeyFQMWGZSXWROALP-UHFFFAOYSA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-methyl-6-(trifluoromethyl)pyridine
CID 130253491
2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine
CID 171367185
6-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
CID 130881025
2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine
CID 165143812
2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 97035085
2-fluoro-3-phenyl-6-(trifluoromethyl)pyridine
CID 46314959
2-ethoxy-3,6-bis(trifluoromethyl)pyridine
CID 133095206
2-(2,4,6-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134635776
2-fluoro-6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089838
(E)-3-[3,6-bis(trifluoromethyl)-2-pyridinyl]prop-2-enoic acid
CID 133095214
2,3,4-trifluoro-6-(trifluoromethyl)pyridine
CID 46317997
4-deuterio-2,6-bis(trifluoromethyl)pyridine
CID 175919403

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 2-fluoro-3,6-bis(trifluoromethyl)pyridine (CID 133095208) is 2-fluoro-3,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 2-fluoro-3,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 2-fluoro-3,6-bis(trifluoromethyl)pyridine is Fc1nc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of 2-fluoro-3,6-bis(trifluoromethyl)pyridine?
The InChIKey is FQMWGZSXWROALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F7N/c8-5-3(6(9,10)11)1-2-4(15-5)7(12,13)14/h1-2H.
What are the key properties of 2-fluoro-3,6-bis(trifluoromethyl)pyridine?
2-fluoro-3,6-bis(trifluoromethyl)pyridine has a molecular weight of 233.09 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 133095208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).