ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate

C16H14ClF3N2O4 — CID 71150498

IUPACethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F
InChIInChI=1S/C16H14ClF3N2O4/c1-3-25-15(23)12-14(26-16(19)20)9(21)6-10(22-12)7-4-5-8(17)13(24-2)11(7)18/h4-6,16H,3H2,1-2H3,(H2,21,22)
InChIKeyITXWDLIIJFRTQD-UHFFFAOYSA-N
MW390.75 g/mol
LogP3.91
Rot. Bonds6

About ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate

ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate (PubChem CID 71150498) has the molecular formula C16H14ClF3N2O4 and a molecular weight of 390.75 g/mol. Its IUPAC name is ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate
PubChem CID71150498
Molecular FormulaC16H14ClF3N2O4
Molecular Weight390.75 g/mol
Exact Mass390.06
IUPAC Nameethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F
InChIInChI=1S/C16H14ClF3N2O4/c1-3-25-15(23)12-14(26-16(19)20)9(21)6-10(22-12)7-4-5-8(17)13(24-2)11(7)18/h4-6,16H,3H2,1-2H3,(H2,21,22)
InChIKeyITXWDLIIJFRTQD-UHFFFAOYSA-N
XLogP3.91
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate (CID 71150498) is ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate is CCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F.
What is the InChIKey of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate?
The InChIKey is ITXWDLIIJFRTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O4/c1-3-25-15(23)12-14(26-16(19)20)9(21)6-10(22-12)7-4-5-8(17)13(24-2)11(7)18/h4-6,16H,3H2,1-2H3,(H2,21,22).
What are the key properties of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate?
ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate has a molecular weight of 390.75 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 71150498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).