methyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate

C14H12FNO3 — CID 50903557

IUPACmethyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ccc(OC)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FNO3/c1-18-12-8-7-11(14(17)19-2)16-13(12)9-3-5-10(15)6-4-9/h3-8H,1-2H3
InChIKeyUUCWBMJLPUHTJM-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.68
Rot. Bonds3

About methyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate

methyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate (PubChem CID 50903557) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is methyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate
PubChem CID50903557
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namemethyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ccc(OC)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FNO3/c1-18-12-8-7-11(14(17)19-2)16-13(12)9-3-5-10(15)6-4-9/h3-8H,1-2H3
InChIKeyUUCWBMJLPUHTJM-UHFFFAOYSA-N
XLogP2.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate (CID 50903557) is methyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate is COC(=O)c1ccc(OC)c(-c2ccc(F)cc2)n1.
What is the InChIKey of methyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate?
The InChIKey is UUCWBMJLPUHTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-18-12-8-7-11(14(17)19-2)16-13(12)9-3-5-10(15)6-4-9/h3-8H,1-2H3.
What are the key properties of methyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate?
methyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate has a molecular weight of 261.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylate is sourced from PubChem (CID 50903557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).