3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine

C12H7F4N — CID 175294504

IUPAC3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine
SMILESFc1cncc(Cc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C12H7F4N/c13-9-2-8(5-17-6-9)1-7-3-10(14)12(16)11(15)4-7/h2-6H,1H2
InChIKeyGAVYROORGVQLAQ-UHFFFAOYSA-N
MW241.19 g/mol
LogP3.23
Rot. Bonds2

About 3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine

3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine (PubChem CID 175294504) has the molecular formula C12H7F4N and a molecular weight of 241.19 g/mol. Its IUPAC name is 3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine
PubChem CID175294504
Molecular FormulaC12H7F4N
Molecular Weight241.19 g/mol
Exact Mass241.05
IUPAC Name3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine
SMILESFc1cncc(Cc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C12H7F4N/c13-9-2-8(5-17-6-9)1-7-3-10(14)12(16)11(15)4-7/h2-6H,1H2
InChIKeyGAVYROORGVQLAQ-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine?
The IUPAC name of 3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine (CID 175294504) is 3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine.
What is the SMILES notation for 3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine?
The canonical SMILES for 3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine is Fc1cncc(Cc2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of 3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine?
The InChIKey is GAVYROORGVQLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N/c13-9-2-8(5-17-6-9)1-7-3-10(14)12(16)11(15)4-7/h2-6H,1H2.
What are the key properties of 3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine?
3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine has a molecular weight of 241.19 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine is sourced from PubChem (CID 175294504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).