methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate

C15H12FN3O3 — CID 71175267

IUPACmethyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C#N)cc2)c(F)c(N)c1OC
InChIInChI=1S/C15H12FN3O3/c1-21-14-11(18)10(16)12(19-13(14)15(20)22-2)9-5-3-8(7-17)4-6-9/h3-6H,1-2H3,(H2,18,19)
InChIKeyREAPDZNNWQPLME-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.14
Rot. Bonds3

About methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate

methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate (PubChem CID 71175267) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate
PubChem CID71175267
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Namemethyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C#N)cc2)c(F)c(N)c1OC
InChIInChI=1S/C15H12FN3O3/c1-21-14-11(18)10(16)12(19-13(14)15(20)22-2)9-5-3-8(7-17)4-6-9/h3-6H,1-2H3,(H2,18,19)
InChIKeyREAPDZNNWQPLME-UHFFFAOYSA-N
XLogP2.14
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate (CID 71175267) is methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C#N)cc2)c(F)c(N)c1OC.
What is the InChIKey of methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate?
The InChIKey is REAPDZNNWQPLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-21-14-11(18)10(16)12(19-13(14)15(20)22-2)9-5-3-8(7-17)4-6-9/h3-6H,1-2H3,(H2,18,19).
What are the key properties of methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate?
methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate has a molecular weight of 301.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 71175267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).