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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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).