6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine

C11H18FN — CID 91588124

IUPAC6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine
SMILESCCCC1CC(F)=C(C)C(CC)=N1
InChIInChI=1S/C11H18FN/c1-4-6-9-7-10(12)8(3)11(5-2)13-9/h9H,4-7H2,1-3H3
InChIKeyWYLMCMRBMMYKMZ-UHFFFAOYSA-N
MW183.27 g/mol
LogP3.65
Rot. Bonds3

About 6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine

6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine (PubChem CID 91588124) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine
PubChem CID91588124
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine
SMILESCCCC1CC(F)=C(C)C(CC)=N1
InChIInChI=1S/C11H18FN/c1-4-6-9-7-10(12)8(3)11(5-2)13-9/h9H,4-7H2,1-3H3
InChIKeyWYLMCMRBMMYKMZ-UHFFFAOYSA-N
XLogP3.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine?
The IUPAC name of 6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine (CID 91588124) is 6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine.
What is the SMILES notation for 6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine?
The canonical SMILES for 6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine is CCCC1CC(F)=C(C)C(CC)=N1.
What is the InChIKey of 6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine?
The InChIKey is WYLMCMRBMMYKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-4-6-9-7-10(12)8(3)11(5-2)13-9/h9H,4-7H2,1-3H3.
What are the key properties of 6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine?
6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine has a molecular weight of 183.27 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine is sourced from PubChem (CID 91588124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).