5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine

C11H15FN2O — CID 175061714

IUPAC5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine
SMILESCOC1=C(F)C=C(C2=CCNCC2)CN1
InChIInChI=1S/C11H15FN2O/c1-15-11-10(12)6-9(7-14-11)8-2-4-13-5-3-8/h2,6,13-14H,3-5,7H2,1H3
InChIKeyHHYOCMCKGUEEJU-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.22
Rot. Bonds2

About 5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine

5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine (PubChem CID 175061714) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine
PubChem CID175061714
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine
SMILESCOC1=C(F)C=C(C2=CCNCC2)CN1
InChIInChI=1S/C11H15FN2O/c1-15-11-10(12)6-9(7-14-11)8-2-4-13-5-3-8/h2,6,13-14H,3-5,7H2,1H3
InChIKeyHHYOCMCKGUEEJU-UHFFFAOYSA-N
XLogP1.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methoxy-5-piperidin-4-yl-1,2-dihydropyridine
CID 118610355
ethane;4-[(3E,5E)-6-methoxyhexa-1,3,5-trien-3-yl]-1,2,3,6-tetrahydropyridine
CID 142929004
4-[(3E,5E)-6-methoxyhexa-1,3,5-trien-3-yl]-1,2,3,6-tetrahydropyridine
CID 142929005

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine?
The IUPAC name of 5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine (CID 175061714) is 5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine.
What is the SMILES notation for 5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine?
The canonical SMILES for 5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine is COC1=C(F)C=C(C2=CCNCC2)CN1.
What is the InChIKey of 5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine?
The InChIKey is HHYOCMCKGUEEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-15-11-10(12)6-9(7-14-11)8-2-4-13-5-3-8/h2,6,13-14H,3-5,7H2,1H3.
What are the key properties of 5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine?
5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine has a molecular weight of 210.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine is sourced from PubChem (CID 175061714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).