2-(2,4-dimethylphenyl)-4-fluoropyridine

C13H12FN — CID 102824457

IUPAC2-(2,4-dimethylphenyl)-4-fluoropyridine
SMILESCc1ccc(-c2cc(F)ccn2)c(C)c1
InChIInChI=1S/C13H12FN/c1-9-3-4-12(10(2)7-9)13-8-11(14)5-6-15-13/h3-8H,1-2H3
InChIKeyOMJCCBPQCSJLRA-UHFFFAOYSA-N
MW201.24 g/mol
LogP3.50
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-4-fluoropyridine

2-(2,4-dimethylphenyl)-4-fluoropyridine (PubChem CID 102824457) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-fluoropyridine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-fluoropyridine
PubChem CID102824457
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name2-(2,4-dimethylphenyl)-4-fluoropyridine
SMILESCc1ccc(-c2cc(F)ccn2)c(C)c1
InChIInChI=1S/C13H12FN/c1-9-3-4-12(10(2)7-9)13-8-11(14)5-6-15-13/h3-8H,1-2H3
InChIKeyOMJCCBPQCSJLRA-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-fluoropyridine?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-fluoropyridine (CID 102824457) is 2-(2,4-dimethylphenyl)-4-fluoropyridine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-fluoropyridine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-fluoropyridine is Cc1ccc(-c2cc(F)ccn2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-fluoropyridine?
The InChIKey is OMJCCBPQCSJLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c1-9-3-4-12(10(2)7-9)13-8-11(14)5-6-15-13/h3-8H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-4-fluoropyridine?
2-(2,4-dimethylphenyl)-4-fluoropyridine has a molecular weight of 201.24 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-fluoropyridine is sourced from PubChem (CID 102824457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).