4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate

C70H60Cl6F5N11O16 — CID 160516367

IUPAC4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(N(C)C)c2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(Cl)cc2)c(Cl)c(N)c1OC.COc1c(C(=O)O)nc(-c2ccc(Cl)c(OC)c2F)c(F)c1N.COc1c(C(=O)O)nc(-c2ccc(Cl)cc2)c(F)c1N.COc1c(N)cc(-c2ccc(Cl)cc2)nc1C(=O)O
InChIInChI=1S/C16H16ClF2N3O3.C14H12Cl2N2O3.C14H11ClF2N2O4.C13H10ClFN2O3.C13H11ClN2O3/c1-22(2)14-8(17)6-5-7(9(14)18)12-10(19)11(20)15(24-3)13(21-12)16(23)25-4;1-20-13-10(17)9(16)11(18-12(13)14(19)21-2)7-3-5-8(15)6-4-7;1-22-12-6(15)4-3-5(7(12)16)10-8(17)9(18)13(23-2)11(19-10)14(20)21;1-20-12-9(16)8(15)10(17-11(12)13(18)19)6-2-4-7(14)5-3-6;1-19-12-9(15)6-10(16-11(12)13(17)18)7-2-4-8(14)5-3-7/h5-6H,1-4H3,(H2,20,21);3-6H,1-2H3,(H2,17,18);3-4H,1-2H3,(H2,18,19)(H,20,21);2-5H,1H3,(H2,16,17)(H,18,19);2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyQTSCKKQTCCPZKJ-UHFFFAOYSA-N
MW1619.02 g/mol
LogP15.06
Rot. Bonds17

About 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate

4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate (PubChem CID 160516367) has the molecular formula C70H60Cl6F5N11O16 and a molecular weight of 1619.02 g/mol. Its IUPAC name is 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Name4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate
PubChem CID160516367
Molecular FormulaC70H60Cl6F5N11O16
Molecular Weight1619.02 g/mol
Exact Mass1615.23
IUPAC Name4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(N(C)C)c2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(Cl)cc2)c(Cl)c(N)c1OC.COc1c(C(=O)O)nc(-c2ccc(Cl)c(OC)c2F)c(F)c1N.COc1c(C(=O)O)nc(-c2ccc(Cl)cc2)c(F)c1N.COc1c(N)cc(-c2ccc(Cl)cc2)nc1C(=O)O
InChIInChI=1S/C16H16ClF2N3O3.C14H12Cl2N2O3.C14H11ClF2N2O4.C13H10ClFN2O3.C13H11ClN2O3/c1-22(2)14-8(17)6-5-7(9(14)18)12-10(19)11(20)15(24-3)13(21-12)16(23)25-4;1-20-13-10(17)9(16)11(18-12(13)14(19)21-2)7-3-5-8(15)6-4-7;1-22-12-6(15)4-3-5(7(12)16)10-8(17)9(18)13(23-2)11(19-10)14(20)21;1-20-12-9(16)8(15)10(17-11(12)13(18)19)6-2-4-7(14)5-3-6;1-19-12-9(15)6-10(16-11(12)13(17)18)7-2-4-8(14)5-3-7/h5-6H,1-4H3,(H2,20,21);3-6H,1-2H3,(H2,17,18);3-4H,1-2H3,(H2,18,19)(H,20,21);2-5H,1H3,(H2,16,17)(H,18,19);2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyQTSCKKQTCCPZKJ-UHFFFAOYSA-N
XLogP15.06
TPSA417.67 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001619.02
LogP ≤ 515.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate?
The IUPAC name of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate (CID 160516367) is 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate.
What is the SMILES notation for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate?
The canonical SMILES for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(N(C)C)c2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(Cl)cc2)c(Cl)c(N)c1OC.COc1c(C(=O)O)nc(-c2ccc(Cl)c(OC)c2F)c(F)c1N.COc1c(C(=O)O)nc(-c2ccc(Cl)cc2)c(F)c1N.COc1c(N)cc(-c2ccc(Cl)cc2)nc1C(=O)O.
What is the InChIKey of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate?
The InChIKey is QTSCKKQTCCPZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N3O3.C14H12Cl2N2O3.C14H11ClF2N2O4.C13H10ClFN2O3.C13H11ClN2O3/c1-22(2)14-8(17)6-5-7(9(14)18)12-10(19)11(20)15(24-3)13(21-12)16(23)25-4;1-20-13-10(17)9(16)11(18-12(13)14(19)21-2)7-3-5-8(15)6-4-7;1-22-12-6(15)4-3-5(7(12)16)10-8(17)9(18)13(23-2)11(19-10)14(20)21;1-20-12-9(16)8(15)10(17-11(12)13(18)19)6-2-4-7(14)5-3-6;1-19-12-9(15)6-10(16-11(12)13(17)18)7-2-4-8(14)5-3-7/h5-6H,1-4H3,(H2,20,21);3-6H,1-2H3,(H2,17,18);3-4H,1-2H3,(H2,18,19)(H,20,21);2-5H,1H3,(H2,16,17)(H,18,19);2-6H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate?
4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate has a molecular weight of 1619.02 g/mol, XLogP of 15.06, 17 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-5-chloro-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-fluoro-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 160516367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).