butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate)

C65H48Cl4F8N12O9 — CID 159270248

About butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate)

butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate) (PubChem CID 159270248) has the molecular formula C65H48Cl4F8N12O9 and a molecular weight of 1434.97 g/mol. Its IUPAC name is butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate).

Molecular Properties

• Compound Name: butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate)
• PubChem CID: 159270248
• Molecular Formula: C65H48Cl4F8N12O9
• Molecular Weight: 1434.97 g/mol
• Exact Mass: 1432.23
• IUPAC Name: butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate)
• SMILES: CCCCOC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3ccn(C(C)=O)c3c2F)c(F)c(N)c1Cl
• InChI: InChI=1S/C18H16ClF2N3O2.C17H12ClF2N3O3.2C15H10ClF2N3O2/c1-2-3-8-26-18(25)17-11(19)14(22)13(21)16(24-17)10-5-4-9-6-7-23-15(9)12(10)20;1-7(24)23-6-5-8-3-4-9(11(19)16(8)23)14-12(20)13(21)10(18)15(22-14)17(25)26-2;2*1-23-15(22)14-8(16)11(19)10(18)13(21-14)7-3-2-6-4-5-20-12(6)9(7)17/h4-7,23H,2-3,8H2,1H3,(H2,22,24);3-6H,1-2H3,(H2,21,22);2*2-5,20H,1H3,(H2,19,21)
• InChIKey: KXPUFHYYOJPPBD-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 330.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1434.97
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate)?

The IUPAC name of butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate) (CID 159270248) is butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate).

What is the SMILES notation for butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate)?

The canonical SMILES for butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate) is CCCCOC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3ccn(C(C)=O)c3c2F)c(F)c(N)c1Cl.

What is the InChIKey of butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate)?

The InChIKey is KXPUFHYYOJPPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O2.C17H12ClF2N3O3.2C15H10ClF2N3O2/c1-2-3-8-26-18(25)17-11(19)14(22)13(21)16(24-17)10-5-4-9-6-7-23-15(9)12(10)20;1-7(24)23-6-5-8-3-4-9(11(19)16(8)23)14-12(20)13(21)10(18)15(22-14)17(25)26-2;2*1-23-15(22)14-8(16)11(19)10(18)13(21-14)7-3-2-6-4-5-20-12(6)9(7)17/h4-7,23H,2-3,8H2,1H3,(H2,22,24);3-6H,1-2H3,(H2,21,22);2*2-5,20H,1H3,(H2,19,21).

What are the key properties of butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate)?

butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate) has a molecular weight of 1434.97 g/mol, XLogP of 15.43, 11 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for butyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;bis(methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate) is sourced from PubChem (CID 159270248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).