ethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate

C16H16FNO3 — CID 166140798

IUPACethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C)cc(F)c1OCc1ccccc1
InChIInChI=1S/C16H16FNO3/c1-3-20-16(19)14-15(13(17)9-11(2)18-14)21-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKeyRILLFZLPUBKMQH-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.28
Rot. Bonds5

About ethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate

ethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate (PubChem CID 166140798) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is ethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate
PubChem CID166140798
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Nameethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C)cc(F)c1OCc1ccccc1
InChIInChI=1S/C16H16FNO3/c1-3-20-16(19)14-15(13(17)9-11(2)18-14)21-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKeyRILLFZLPUBKMQH-UHFFFAOYSA-N
XLogP3.28
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate?
The IUPAC name of ethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate (CID 166140798) is ethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate is CCOC(=O)c1nc(C)cc(F)c1OCc1ccccc1.
What is the InChIKey of ethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate?
The InChIKey is RILLFZLPUBKMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-3-20-16(19)14-15(13(17)9-11(2)18-14)21-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate?
ethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate has a molecular weight of 289.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-6-methyl-3-phenylmethoxypyridine-2-carboxylate is sourced from PubChem (CID 166140798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).