3-fluoro-2-methoxy-1,2-dihydropyridine

C6H8FNO — CID 173058082

IUPAC3-fluoro-2-methoxy-1,2-dihydropyridine
SMILESCOC1NC=CC=C1F
InChIInChI=1S/C6H8FNO/c1-9-6-5(7)3-2-4-8-6/h2-4,6,8H,1H3
InChIKeySQAUBDUKHGBVKI-UHFFFAOYSA-N
MW129.13 g/mol
LogP0.93
Rot. Bonds1

About 3-fluoro-2-methoxy-1,2-dihydropyridine

3-fluoro-2-methoxy-1,2-dihydropyridine (PubChem CID 173058082) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name3-fluoro-2-methoxy-1,2-dihydropyridine
PubChem CID173058082
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name3-fluoro-2-methoxy-1,2-dihydropyridine
SMILESCOC1NC=CC=C1F
InChIInChI=1S/C6H8FNO/c1-9-6-5(7)3-2-4-8-6/h2-4,6,8H,1H3
InChIKeySQAUBDUKHGBVKI-UHFFFAOYSA-N
XLogP0.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-1,2-dihydropyridine?
The IUPAC name of 3-fluoro-2-methoxy-1,2-dihydropyridine (CID 173058082) is 3-fluoro-2-methoxy-1,2-dihydropyridine.
What is the SMILES notation for 3-fluoro-2-methoxy-1,2-dihydropyridine?
The canonical SMILES for 3-fluoro-2-methoxy-1,2-dihydropyridine is COC1NC=CC=C1F.
What is the InChIKey of 3-fluoro-2-methoxy-1,2-dihydropyridine?
The InChIKey is SQAUBDUKHGBVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-9-6-5(7)3-2-4-8-6/h2-4,6,8H,1H3.
What are the key properties of 3-fluoro-2-methoxy-1,2-dihydropyridine?
3-fluoro-2-methoxy-1,2-dihydropyridine has a molecular weight of 129.13 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-1,2-dihydropyridine is sourced from PubChem (CID 173058082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).