1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine

C7H12FN — CID 151537795

IUPAC1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCCN1CCC=C(F)C1
InChIInChI=1S/C7H12FN/c1-2-9-5-3-4-7(8)6-9/h4H,2-3,5-6H2,1H3
InChIKeyPXVDXTLRCCQTPK-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.57
Rot. Bonds1

About 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine

1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine (PubChem CID 151537795) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine
PubChem CID151537795
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCCN1CCC=C(F)C1
InChIInChI=1S/C7H12FN/c1-2-9-5-3-4-7(8)6-9/h4H,2-3,5-6H2,1H3
InChIKeyPXVDXTLRCCQTPK-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethyl-1,2,3,6-tetrahydropyridine
CID 247451
1-Methyl-1,2,3,6-tetrahydropyridine
CID 69666
1-Methyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 2724681
Pyridine, 1,2,3,6-tetrahydro-1,4-dimethyl-
CID 11389372
1-Propyl-1,2,3,6-tetrahydropyridine
CID 357826
(r,s)-1,6-Dimethyl-1,2,3,6-tetrahydro-pyridine
CID 641109
Pyridine, 1,2,3,6-tetrahydro-1,5-dimethyl-
CID 12227310
Pyridine, 1,2,5,6-tetrahydro-1,2-dimethyl-
CID 565859
1,3-dimethyl-3,6-dihydro-2H-pyridine
CID 12437849
Pyridine, 1,2,3,6-tetrahydro-1-(2-propenyl)-
CID 3056838
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799112

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine (CID 151537795) is 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine is CCN1CCC=C(F)C1.
What is the InChIKey of 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine?
The InChIKey is PXVDXTLRCCQTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-2-9-5-3-4-7(8)6-9/h4H,2-3,5-6H2,1H3.
What are the key properties of 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine?
1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine has a molecular weight of 129.18 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 151537795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).