methyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate

C8H12FNO2 — CID 130614586

IUPACmethyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate
SMILESCOC(=O)CN1CCC=C(F)C1
InChIInChI=1S/C8H12FNO2/c1-12-8(11)6-10-4-2-3-7(9)5-10/h3H,2,4-6H2,1H3
InChIKeyHYKQYBJSONHNPN-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.72
Rot. Bonds2

About methyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate

methyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate (PubChem CID 130614586) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is methyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate
PubChem CID130614586
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC Namemethyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate
SMILESCOC(=O)CN1CCC=C(F)C1
InChIInChI=1S/C8H12FNO2/c1-12-8(11)6-10-4-2-3-7(9)5-10/h3H,2,4-6H2,1H3
InChIKeyHYKQYBJSONHNPN-UHFFFAOYSA-N
XLogP0.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate?
The IUPAC name of methyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate (CID 130614586) is methyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate?
The canonical SMILES for methyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate is COC(=O)CN1CCC=C(F)C1.
What is the InChIKey of methyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate?
The InChIKey is HYKQYBJSONHNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2/c1-12-8(11)6-10-4-2-3-7(9)5-10/h3H,2,4-6H2,1H3.
What are the key properties of methyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate?
methyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate has a molecular weight of 173.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)acetate is sourced from PubChem (CID 130614586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).