methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C75H64Cl2F12N10O18 — CID 159149528

About methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 159149528) has the molecular formula C75H64Cl2F12N10O18 and a molecular weight of 1692.27 g/mol. Its IUPAC name is methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
• PubChem CID: 159149528
• Molecular Formula: C75H64Cl2F12N10O18
• Molecular Weight: 1692.27 g/mol
• Exact Mass: 1690.36
• IUPAC Name: methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(Cl)c(C(C)F)c2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(F)cc2)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc3c(c2)OCO3)c(F)c(N)c1OC
• InChI: InChI=1S/C16H14ClF3N2O3.C15H13ClF2N2O4.C15H12F4N2O3.C15H13FN2O5.C14H12F2N2O3/c1-6(18)9-8(17)5-4-7(10(9)19)13-11(20)12(21)15(24-2)14(22-13)16(23)25-3;1-22-13-7(16)5-4-6(8(13)17)11-9(18)10(19)14(23-2)12(20-11)15(21)24-3;1-23-13-10(20)9(16)11(21-12(13)14(22)24-2)7-3-5-8(6-4-7)15(17,18)19;1-20-14-11(17)10(16)12(18-13(14)15(19)21-2)7-3-4-8-9(5-7)23-6-22-8;1-20-13-10(17)9(16)11(18-12(13)14(19)21-2)7-3-5-8(15)6-4-7/h4-6H,1-3H3,(H2,21,22);4-5H,1-3H3,(H2,19,20);3-6H,1-2H3,(H2,20,21);3-5H,6H2,1-2H3,(H2,17,18);3-6H,1-2H3,(H2,17,18)
• InChIKey: KJCHIZQPWDBLGB-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 399.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1692.27
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?

The IUPAC name of methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 159149528) is methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

What is the SMILES notation for methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?

The canonical SMILES for methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(Cl)c(C(C)F)c2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(F)cc2)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc3c(c2)OCO3)c(F)c(N)c1OC.

What is the InChIKey of methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?

The InChIKey is KJCHIZQPWDBLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O3.C15H13ClF2N2O4.C15H12F4N2O3.C15H13FN2O5.C14H12F2N2O3/c1-6(18)9-8(17)5-4-7(10(9)19)13-11(20)12(21)15(24-2)14(22-13)16(23)25-3;1-22-13-7(16)5-4-6(8(13)17)11-9(18)10(19)14(23-2)12(20-11)15(21)24-3;1-23-13-10(20)9(16)11(21-12(13)14(22)24-2)7-3-5-8(6-4-7)15(17,18)19;1-20-14-11(17)10(16)12(18-13(14)15(19)21-2)7-3-4-8-9(5-7)23-6-22-8;1-20-13-10(17)9(16)11(18-12(13)14(19)21-2)7-3-5-8(15)6-4-7/h4-6H,1-3H3,(H2,21,22);4-5H,1-3H3,(H2,19,20);3-6H,1-2H3,(H2,20,21);3-5H,6H2,1-2H3,(H2,17,18);3-6H,1-2H3,(H2,17,18).

What are the key properties of methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?

methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 1692.27 g/mol, XLogP of 14.84, 17 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 159149528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).