1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine

C13H16FNO — CID 135082089

IUPAC1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine
SMILESCOC1=CCN(c2ccc(C)cc2F)CC1
InChIInChI=1S/C13H16FNO/c1-10-3-4-13(12(14)9-10)15-7-5-11(16-2)6-8-15/h3-5,9H,6-8H2,1-2H3
InChIKeyVKWINDKWWHQDHB-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.87
Rot. Bonds2

About 1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine

1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine (PubChem CID 135082089) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine
PubChem CID135082089
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine
SMILESCOC1=CCN(c2ccc(C)cc2F)CC1
InChIInChI=1S/C13H16FNO/c1-10-3-4-13(12(14)9-10)15-7-5-11(16-2)6-8-15/h3-5,9H,6-8H2,1-2H3
InChIKeyVKWINDKWWHQDHB-UHFFFAOYSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine (CID 135082089) is 1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine is COC1=CCN(c2ccc(C)cc2F)CC1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine?
The InChIKey is VKWINDKWWHQDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-10-3-4-13(12(14)9-10)15-7-5-11(16-2)6-8-15/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine?
1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine has a molecular weight of 221.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-4-methoxy-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 135082089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).