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

C8H12FN — CID 91228283

IUPAC6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine
SMILESCCC1=NCC(C)C=C1F
InChIInChI=1S/C8H12FN/c1-3-8-7(9)4-6(2)5-10-8/h4,6H,3,5H2,1-2H3
InChIKeyRHBMURMBCFFQSL-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.34
Rot. Bonds1

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

6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine (PubChem CID 91228283) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine
PubChem CID91228283
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine
SMILESCCC1=NCC(C)C=C1F
InChIInChI=1S/C8H12FN/c1-3-8-7(9)4-6(2)5-10-8/h4,6H,3,5H2,1-2H3
InChIKeyRHBMURMBCFFQSL-UHFFFAOYSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine
CID 67991606
(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine
CID 67991646
6-(Difluoromethyl)-3-ethyl-5-methyl-2,3-dihydropyridine
CID 91353665
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(E)-3-fluoro-N-(2-methylbutyl)pent-3-en-2-imine
CID 137538512
(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine
CID 142523799
(Z)-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 143810300
5-Fluoro-3,6-dimethyl-2,3-dihydropyridine
CID 146561026
6-ethyl-3,5-difluoro-3-methyl-2H-pyridine
CID 165398323
5-Fluoro-6-methyl-2,3-dihydropyridine
CID 169656959
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine?
The IUPAC name of 6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine (CID 91228283) is 6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine.
What is the SMILES notation for 6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine?
The canonical SMILES for 6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine is CCC1=NCC(C)C=C1F.
What is the InChIKey of 6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine?
The InChIKey is RHBMURMBCFFQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-3-8-7(9)4-6(2)5-10-8/h4,6H,3,5H2,1-2H3.
What are the key properties of 6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine?
6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine has a molecular weight of 141.19 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-3-methyl-2,3-dihydropyridine is sourced from PubChem (CID 91228283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).