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

C16H16F2N2O3 — CID 123699604

IUPACmethyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate
SMILESCCc1ccc(-c2nc(C(=O)OC)c(OC)c(N)c2F)c(F)c1
InChIInChI=1S/C16H16F2N2O3/c1-4-8-5-6-9(10(17)7-8)13-11(18)12(19)15(22-2)14(20-13)16(21)23-3/h5-7H,4H2,1-3H3,(H2,19,20)
InChIKeyIBFDRGOMFNXITQ-UHFFFAOYSA-N
MW322.31 g/mol
LogP2.97
Rot. Bonds4

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

methyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate (PubChem CID 123699604) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is methyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate
PubChem CID123699604
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC Namemethyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate
SMILESCCc1ccc(-c2nc(C(=O)OC)c(OC)c(N)c2F)c(F)c1
InChIInChI=1S/C16H16F2N2O3/c1-4-8-5-6-9(10(17)7-8)13-11(18)12(19)15(22-2)14(20-13)16(21)23-3/h5-7H,4H2,1-3H3,(H2,19,20)
InChIKeyIBFDRGOMFNXITQ-UHFFFAOYSA-N
XLogP2.97
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate (CID 123699604) is methyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate is CCc1ccc(-c2nc(C(=O)OC)c(OC)c(N)c2F)c(F)c1.
What is the InChIKey of methyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate?
The InChIKey is IBFDRGOMFNXITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3/c1-4-8-5-6-9(10(17)7-8)13-11(18)12(19)15(22-2)14(20-13)16(21)23-3/h5-7H,4H2,1-3H3,(H2,19,20).
What are the key properties of methyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate?
methyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate has a molecular weight of 322.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(4-ethyl-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 123699604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).