6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine

C16H17F2N — CID 146876540

IUPAC6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine
SMILESCc1cc(-c2cc(C)c(F)c(C)c2F)nc(C)c1C
InChIInChI=1S/C16H17F2N/c1-8-7-14(19-12(5)10(8)3)13-6-9(2)15(17)11(4)16(13)18/h6-7H,1-5H3
InChIKeyNQYIFVWGCFRNKE-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.57
Rot. Bonds1

About 6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine

6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine (PubChem CID 146876540) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine.

Molecular Properties

Compound Name6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine
PubChem CID146876540
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine
SMILESCc1cc(-c2cc(C)c(F)c(C)c2F)nc(C)c1C
InChIInChI=1S/C16H17F2N/c1-8-7-14(19-12(5)10(8)3)13-6-9(2)15(17)11(4)16(13)18/h6-7H,1-5H3
InChIKeyNQYIFVWGCFRNKE-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine?
The IUPAC name of 6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine (CID 146876540) is 6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine.
What is the SMILES notation for 6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine?
The canonical SMILES for 6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine is Cc1cc(-c2cc(C)c(F)c(C)c2F)nc(C)c1C.
What is the InChIKey of 6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine?
The InChIKey is NQYIFVWGCFRNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-8-7-14(19-12(5)10(8)3)13-6-9(2)15(17)11(4)16(13)18/h6-7H,1-5H3.
What are the key properties of 6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine?
6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine has a molecular weight of 261.31 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoro-3,5-dimethylphenyl)-2,3,4-trimethylpyridine is sourced from PubChem (CID 146876540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).