4-ethyl-2-fluoro-1,2-dihydropyridine

C7H10FN — CID 118478905

IUPAC4-ethyl-2-fluoro-1,2-dihydropyridine
SMILESCCC1=CC(F)NC=C1
InChIInChI=1S/C7H10FN/c1-2-6-3-4-9-7(8)5-6/h3-5,7,9H,2H2,1H3
InChIKeyOEEKGHDOCAWAJY-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.74
Rot. Bonds1

About 4-ethyl-2-fluoro-1,2-dihydropyridine

4-ethyl-2-fluoro-1,2-dihydropyridine (PubChem CID 118478905) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 4-ethyl-2-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name4-ethyl-2-fluoro-1,2-dihydropyridine
PubChem CID118478905
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name4-ethyl-2-fluoro-1,2-dihydropyridine
SMILESCCC1=CC(F)NC=C1
InChIInChI=1S/C7H10FN/c1-2-6-3-4-9-7(8)5-6/h3-5,7,9H,2H2,1H3
InChIKeyOEEKGHDOCAWAJY-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-Fluoropicoline
CID 69611625
4-Methyl dihydropyridine
CID 407036
2,3-Dihydroisoquinoline
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2-Methyl picoline
CID 18347293
2-Methyl-2-vinylpyridine
CID 20131521
2-Amino-4-methylpicoline
CID 21505664
5-(Trifluoromethyl)-1,2-dihydropyridine
CID 19363749
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
5-Fluoro-4-methyl-1,2-dihydropyridine
CID 89141364
6-Fluoro-4-methyl-1,2-dihydropyridine
CID 89141383

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-fluoro-1,2-dihydropyridine?
The IUPAC name of 4-ethyl-2-fluoro-1,2-dihydropyridine (CID 118478905) is 4-ethyl-2-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 4-ethyl-2-fluoro-1,2-dihydropyridine?
The canonical SMILES for 4-ethyl-2-fluoro-1,2-dihydropyridine is CCC1=CC(F)NC=C1.
What is the InChIKey of 4-ethyl-2-fluoro-1,2-dihydropyridine?
The InChIKey is OEEKGHDOCAWAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-2-6-3-4-9-7(8)5-6/h3-5,7,9H,2H2,1H3.
What are the key properties of 4-ethyl-2-fluoro-1,2-dihydropyridine?
4-ethyl-2-fluoro-1,2-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 118478905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).