5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine

C8H12FN — CID 167009176

IUPAC5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine
SMILESCCC1=CN=CC(C)C1F
InChIInChI=1S/C8H12FN/c1-3-7-5-10-4-6(2)8(7)9/h4-6,8H,3H2,1-2H3
InChIKeyWSLOUMFRYLNMCQ-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.34
Rot. Bonds1

About 5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine

5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine (PubChem CID 167009176) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine
PubChem CID167009176
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine
SMILESCCC1=CN=CC(C)C1F
InChIInChI=1S/C8H12FN/c1-3-7-5-10-4-6(2)8(7)9/h4-6,8H,3H2,1-2H3
InChIKeyWSLOUMFRYLNMCQ-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

5-Ethyl-3,4-dihydropyridine
CID 14979265
(3S)-5-fluoro-3-methyl-3,4-dihydropyridine
CID 89024044
3-Fluoro-5-methyl-3,4-dihydropyridine
CID 89642561
4-Fluoro-5-methyl-3,4-dihydropyridine
CID 90764020
3-methyl-4-methylidene-5-(trifluoromethyl)-3H-pyridine
CID 117863563
6-fluoro-5-propan-2-yl-4,5-dihydro-3H-azepine
CID 123302321
5-Fluoro-3-methyl-3,4-dihydropyridine
CID 123967163
6-Fluoro-3,5-dimethyl-3,4-dihydropyridine
CID 134581916
5-Fluoro-2-propan-2-yl-3,4-dihydropyridine
CID 145484234
5-Fluoro-3,4-dimethyl-3,4-dihydropyridine
CID 146580434
2,4-Dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 148775053
5-Fluoro-4-methyl-3,4-dihydropyridine
CID 155454905

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine?
The IUPAC name of 5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine (CID 167009176) is 5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine is CCC1=CN=CC(C)C1F.
What is the InChIKey of 5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine?
The InChIKey is WSLOUMFRYLNMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-3-7-5-10-4-6(2)8(7)9/h4-6,8H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine?
5-ethyl-4-fluoro-3-methyl-3,4-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 5-ethyl-4-fluoro-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 167009176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).