2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine

C11H6F4N2 — CID 169408045

IUPAC2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine
SMILESFc1ccc(-c2cnccc2C(F)(F)F)cn1
InChIInChI=1S/C11H6F4N2/c12-10-2-1-7(5-17-10)8-6-16-4-3-9(8)11(13,14)15/h1-6H
InChIKeyUCNJHYCZBNIJQS-UHFFFAOYSA-N
MW242.18 g/mol
LogP3.30
Rot. Bonds1

About 2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine

2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine (PubChem CID 169408045) has the molecular formula C11H6F4N2 and a molecular weight of 242.18 g/mol. Its IUPAC name is 2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine
PubChem CID169408045
Molecular FormulaC11H6F4N2
Molecular Weight242.18 g/mol
Exact Mass242.05
IUPAC Name2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine
SMILESFc1ccc(-c2cnccc2C(F)(F)F)cn1
InChIInChI=1S/C11H6F4N2/c12-10-2-1-7(5-17-10)8-6-16-4-3-9(8)11(13,14)15/h1-6H
InChIKeyUCNJHYCZBNIJQS-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

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(trifluoromethyl)-3-pyridinyl]benzaldehyde
CID 102708678
3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
CID 102824580
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine
CID 102708697
4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione
CID 106522555
N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
CID 102708742
4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline
CID 102708661
6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione
CID 106522532
1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one
CID 102708685
3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine
CID 174650636
5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
CID 102709103
3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine
CID 46317075

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine?
The IUPAC name of 2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine (CID 169408045) is 2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine.
What is the SMILES notation for 2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine?
The canonical SMILES for 2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine is Fc1ccc(-c2cnccc2C(F)(F)F)cn1.
What is the InChIKey of 2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine?
The InChIKey is UCNJHYCZBNIJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2/c12-10-2-1-7(5-17-10)8-6-16-4-3-9(8)11(13,14)15/h1-6H.
What are the key properties of 2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine?
2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]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 2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine is sourced from PubChem (CID 169408045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).