4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine

C12H12FNO — CID 57050025

IUPAC4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine
SMILESCOC1C(F)=CC=NC1c1ccccc1
InChIInChI=1S/C12H12FNO/c1-15-12-10(13)7-8-14-11(12)9-5-3-2-4-6-9/h2-8,11-12H,1H3
InChIKeyWMCNLCWFRBOSEB-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.68
Rot. Bonds2

About 4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine

4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine (PubChem CID 57050025) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine
PubChem CID57050025
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine
SMILESCOC1C(F)=CC=NC1c1ccccc1
InChIInChI=1S/C12H12FNO/c1-15-12-10(13)7-8-14-11(12)9-5-3-2-4-6-9/h2-8,11-12H,1H3
InChIKeyWMCNLCWFRBOSEB-UHFFFAOYSA-N
XLogP2.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine?
The IUPAC name of 4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine (CID 57050025) is 4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine.
What is the SMILES notation for 4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine?
The canonical SMILES for 4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine is COC1C(F)=CC=NC1c1ccccc1.
What is the InChIKey of 4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine?
The InChIKey is WMCNLCWFRBOSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-15-12-10(13)7-8-14-11(12)9-5-3-2-4-6-9/h2-8,11-12H,1H3.
What are the key properties of 4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine?
4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine has a molecular weight of 205.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-2-phenyl-2,3-dihydropyridine is sourced from PubChem (CID 57050025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).