3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine

C11H18FN — CID 129194102

IUPAC3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine
SMILESCCCC(C)C1=CNC(C)C(F)=C1
InChIInChI=1S/C11H18FN/c1-4-5-8(2)10-6-11(12)9(3)13-7-10/h6-9,13H,4-5H2,1-3H3
InChIKeyUBOIKQQSFDEEGL-UHFFFAOYSA-N
MW183.27 g/mol
LogP3.15
Rot. Bonds3

About 3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine

3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine (PubChem CID 129194102) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine
PubChem CID129194102
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine
SMILESCCCC(C)C1=CNC(C)C(F)=C1
InChIInChI=1S/C11H18FN/c1-4-5-8(2)10-6-11(12)9(3)13-7-10/h6-9,13H,4-5H2,1-3H3
InChIKeyUBOIKQQSFDEEGL-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine?
The IUPAC name of 3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine (CID 129194102) is 3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine.
What is the SMILES notation for 3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine?
The canonical SMILES for 3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine is CCCC(C)C1=CNC(C)C(F)=C1.
What is the InChIKey of 3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine?
The InChIKey is UBOIKQQSFDEEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-4-5-8(2)10-6-11(12)9(3)13-7-10/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine?
3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine has a molecular weight of 183.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine is sourced from PubChem (CID 129194102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).