methyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

C14H16FNO2 — CID 826623

IUPACmethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(c2ccc(F)cc2)CCN(C)C1
InChIInChI=1S/C14H16FNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyXPKXKOLYHUCQRB-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.09
Rot. Bonds2

About methyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 826623) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID826623
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Namemethyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(c2ccc(F)cc2)CCN(C)C1
InChIInChI=1S/C14H16FNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyXPKXKOLYHUCQRB-UHFFFAOYSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 826623) is methyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=C(c2ccc(F)cc2)CCN(C)C1.
What is the InChIKey of methyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is XPKXKOLYHUCQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3.
What are the key properties of methyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 249.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 826623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).