methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate

C18H19FN2O3 — CID 67338283

IUPACmethyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2F)nc(N2CCOCC2)c1
InChIInChI=1S/C18H19FN2O3/c1-12-3-4-14(15(19)9-12)16-10-13(18(22)23-2)11-17(20-16)21-5-7-24-8-6-21/h3-4,9-11H,5-8H2,1-2H3
InChIKeyZBPORBDLEAJMQX-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.82
Rot. Bonds3

About methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate

methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate (PubChem CID 67338283) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate
PubChem CID67338283
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Namemethyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2F)nc(N2CCOCC2)c1
InChIInChI=1S/C18H19FN2O3/c1-12-3-4-14(15(19)9-12)16-10-13(18(22)23-2)11-17(20-16)21-5-7-24-8-6-21/h3-4,9-11H,5-8H2,1-2H3
InChIKeyZBPORBDLEAJMQX-UHFFFAOYSA-N
XLogP2.82
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate?
The IUPAC name of methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate (CID 67338283) is methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate is COC(=O)c1cc(-c2ccc(C)cc2F)nc(N2CCOCC2)c1.
What is the InChIKey of methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate?
The InChIKey is ZBPORBDLEAJMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12-3-4-14(15(19)9-12)16-10-13(18(22)23-2)11-17(20-16)21-5-7-24-8-6-21/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate?
methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate has a molecular weight of 330.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-4-methylphenyl)-6-morpholin-4-ylpyridine-4-carboxylate is sourced from PubChem (CID 67338283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).