4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine

C13H11F2N — CID 106882652

IUPAC4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2cc(F)ccn2)c(F)c1
InChIInChI=1S/C13H11F2N/c1-8-5-9(2)13(11(15)6-8)12-7-10(14)3-4-16-12/h3-7H,1-2H3
InChIKeyXAKRIHSKMFCLOH-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.64
Rot. Bonds1

About 4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine

4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine (PubChem CID 106882652) has the molecular formula C13H11F2N and a molecular weight of 219.23 g/mol. Its IUPAC name is 4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine.

Molecular Properties

Compound Name4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine
PubChem CID106882652
Molecular FormulaC13H11F2N
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2cc(F)ccn2)c(F)c1
InChIInChI=1S/C13H11F2N/c1-8-5-9(2)13(11(15)6-8)12-7-10(14)3-4-16-12/h3-7H,1-2H3
InChIKeyXAKRIHSKMFCLOH-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine?
The IUPAC name of 4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine (CID 106882652) is 4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine.
What is the SMILES notation for 4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine?
The canonical SMILES for 4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine is Cc1cc(C)c(-c2cc(F)ccn2)c(F)c1.
What is the InChIKey of 4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine?
The InChIKey is XAKRIHSKMFCLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N/c1-8-5-9(2)13(11(15)6-8)12-7-10(14)3-4-16-12/h3-7H,1-2H3.
What are the key properties of 4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine?
4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine has a molecular weight of 219.23 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-fluoro-4,6-dimethylphenyl)pyridine is sourced from PubChem (CID 106882652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).