methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate

C64H61Cl6F3N10O19 — CID 157187661

IUPACmethyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC.COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(NC(C)=O)c1OC.COC(=O)c1nc(-c2ccc(Cl)cc2F)cc(NC(C)=O)c1OC.COC(=O)c1nc(Cl)c(Cl)c(N)c1OC.COC(=O)c1nc(Cl)cc(N)c1OC
InChIInChI=1S/C17H16ClFN2O5.C16H14ClFN2O4.C15H14ClFN2O4.C8H8Cl2N2O3.C8H9ClN2O3/c1-8(22)20-12-7-11(21-14(16(12)25-3)17(23)26-4)9-5-6-10(18)15(24-2)13(9)19;1-8(21)19-13-7-12(10-5-4-9(17)6-11(10)18)20-14(15(13)23-2)16(22)24-3;1-21-13-8(16)5-4-7(11(13)17)10-6-9(18)14(22-2)12(19-10)15(20)23-3;1-14-6-4(11)3(9)7(10)12-5(6)8(13)15-2;1-13-7-4(10)3-5(9)11-6(7)8(12)14-2/h5-7H,1-4H3,(H,20,21,22);4-7H,1-3H3,(H,19,20,21);4-6H,1-3H3,(H2,18,19);1-2H3,(H2,11,12);3H,1-2H3,(H2,10,11)
InChIKeyAPHPNPYMOBIDIG-UHFFFAOYSA-N
MW1543.95 g/mol
LogP12.40
Rot. Bonds17

About methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate

methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate (PubChem CID 157187661) has the molecular formula C64H61Cl6F3N10O19 and a molecular weight of 1543.95 g/mol. Its IUPAC name is methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate
PubChem CID157187661
Molecular FormulaC64H61Cl6F3N10O19
Molecular Weight1543.95 g/mol
Exact Mass1540.22
IUPAC Namemethyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC.COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(NC(C)=O)c1OC.COC(=O)c1nc(-c2ccc(Cl)cc2F)cc(NC(C)=O)c1OC.COC(=O)c1nc(Cl)c(Cl)c(N)c1OC.COC(=O)c1nc(Cl)cc(N)c1OC
InChIInChI=1S/C17H16ClFN2O5.C16H14ClFN2O4.C15H14ClFN2O4.C8H8Cl2N2O3.C8H9ClN2O3/c1-8(22)20-12-7-11(21-14(16(12)25-3)17(23)26-4)9-5-6-10(18)15(24-2)13(9)19;1-8(21)19-13-7-12(10-5-4-9(17)6-11(10)18)20-14(15(13)23-2)16(22)24-3;1-21-13-8(16)5-4-7(11(13)17)10-6-9(18)14(22-2)12(19-10)15(20)23-3;1-14-6-4(11)3(9)7(10)12-5(6)8(13)15-2;1-13-7-4(10)3-5(9)11-6(7)8(12)14-2/h5-7H,1-4H3,(H,20,21,22);4-7H,1-3H3,(H,19,20,21);4-6H,1-3H3,(H2,18,19);1-2H3,(H2,11,12);3H,1-2H3,(H2,10,11)
InChIKeyAPHPNPYMOBIDIG-UHFFFAOYSA-N
XLogP12.40
TPSA396.82 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001543.95
LogP ≤ 512.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate (CID 157187661) is methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC.COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(NC(C)=O)c1OC.COC(=O)c1nc(-c2ccc(Cl)cc2F)cc(NC(C)=O)c1OC.COC(=O)c1nc(Cl)c(Cl)c(N)c1OC.COC(=O)c1nc(Cl)cc(N)c1OC.
What is the InChIKey of methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate?
The InChIKey is APHPNPYMOBIDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O5.C16H14ClFN2O4.C15H14ClFN2O4.C8H8Cl2N2O3.C8H9ClN2O3/c1-8(22)20-12-7-11(21-14(16(12)25-3)17(23)26-4)9-5-6-10(18)15(24-2)13(9)19;1-8(21)19-13-7-12(10-5-4-9(17)6-11(10)18)20-14(15(13)23-2)16(22)24-3;1-21-13-8(16)5-4-7(11(13)17)10-6-9(18)14(22-2)12(19-10)15(20)23-3;1-14-6-4(11)3(9)7(10)12-5(6)8(13)15-2;1-13-7-4(10)3-5(9)11-6(7)8(12)14-2/h5-7H,1-4H3,(H,20,21,22);4-7H,1-3H3,(H,19,20,21);4-6H,1-3H3,(H2,18,19);1-2H3,(H2,11,12);3H,1-2H3,(H2,10,11).
What are the key properties of methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate?
methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate has a molecular weight of 1543.95 g/mol, XLogP of 12.40, 17 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-acetamido-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-chloro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5,6-dichloro-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 157187661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).