3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine

C11H6F4N2 — CID 102824580

IUPAC3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
SMILESFc1ccnc(-c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C11H6F4N2/c12-7-1-4-17-10(5-7)8-6-16-3-2-9(8)11(13,14)15/h1-6H
InChIKeyZXPRFDBECKLNOR-UHFFFAOYSA-N
MW242.18 g/mol
LogP3.30
Rot. Bonds1

About 3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine

3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine (PubChem CID 102824580) has the molecular formula C11H6F4N2 and a molecular weight of 242.18 g/mol. Its IUPAC name is 3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
PubChem CID102824580
Molecular FormulaC11H6F4N2
Molecular Weight242.18 g/mol
Exact Mass242.05
IUPAC Name3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
SMILESFc1ccnc(-c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C11H6F4N2/c12-7-1-4-17-10(5-7)8-6-16-3-2-9(8)11(13,14)15/h1-6H
InChIKeyZXPRFDBECKLNOR-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine (CID 102824580) is 3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine is Fc1ccnc(-c2cnccc2C(F)(F)F)c1.
What is the InChIKey of 3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine?
The InChIKey is ZXPRFDBECKLNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2/c12-7-1-4-17-10(5-7)8-6-16-3-2-9(8)11(13,14)15/h1-6H.
What are the key properties of 3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine?
3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine has a molecular weight of 242.18 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102824580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).