6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine

C8H12FN — CID 173055770

IUPAC6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine
SMILESCCC1=C(C)C=C(F)CN1
InChIInChI=1S/C8H12FN/c1-3-8-6(2)4-7(9)5-10-8/h4,10H,3,5H2,1-2H3
InChIKeyKJQAOFKVFKVCRI-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.13
Rot. Bonds1

About 6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine

6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine (PubChem CID 173055770) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine
PubChem CID173055770
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine
SMILESCCC1=C(C)C=C(F)CN1
InChIInChI=1S/C8H12FN/c1-3-8-6(2)4-7(9)5-10-8/h4,10H,3,5H2,1-2H3
InChIKeyKJQAOFKVFKVCRI-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine?
The IUPAC name of 6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine (CID 173055770) is 6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine.
What is the SMILES notation for 6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine?
The canonical SMILES for 6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine is CCC1=C(C)C=C(F)CN1.
What is the InChIKey of 6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine?
The InChIKey is KJQAOFKVFKVCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-3-8-6(2)4-7(9)5-10-8/h4,10H,3,5H2,1-2H3.
What are the key properties of 6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine?
6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine has a molecular weight of 141.19 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine is sourced from PubChem (CID 173055770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).