1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate

C79H56Cl4F10N16O8 — CID 158874499

About 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate

1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate (PubChem CID 158874499) has the molecular formula C79H56Cl4F10N16O8 and a molecular weight of 1689.21 g/mol. Its IUPAC name is 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
• PubChem CID: 158874499
• Molecular Formula: C79H56Cl4F10N16O8
• Molecular Weight: 1689.21 g/mol
• Exact Mass: 1686.31
• IUPAC Name: 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
• SMILES: C=C(F)c1c(C(=O)O)nc(-c2ccc3cc[nH]c3c2F)c(F)c1N.CC(=O)c1nc(-c2cc(F)c3[nH]ccc3c2)c(F)c(N)c1Cl.CC(=O)c1nc(-c2ccc3cc[nH]c3c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(/N=C/N(C)C)c1Cl.COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl
• InChI: InChI=1S/C18H15ClF2N4O2.C16H10F3N3O2.C15H10ClF2N3O2.C15H10ClF2N3O.C15H11ClFN3O/c1-25(2)8-23-16-11(19)17(18(26)27-3)24-15(13(16)21)10-5-4-9-6-7-22-14(9)12(10)20;1-6(17)9-12(20)11(19)14(22-15(9)16(23)24)8-3-2-7-4-5-21-13(7)10(8)18;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;1-6(22)13-10(16)12(19)11(18)15(21-13)8-4-7-2-3-20-14(7)9(17)5-8;1-7(21)14-11(16)13(18)12(17)15(20-14)9-3-2-8-4-5-19-10(8)6-9/h4-8,22H,1-3H3;2-5,21H,1H2,(H2,20,22)(H,23,24);2-5,20H,1H3,(H2,19,21);2-5,20H,1H3,(H2,19,21);2-6,19H,1H3,(H2,18,20)/b23-8+
• InChIKey: JCGNBHKJTSNZDM-NGMQSETRSA-N
• XLogP: 19.18
• TPSA: 387.12 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1689.21
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?

The IUPAC name of 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate (CID 158874499) is 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate.

What is the SMILES notation for 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?

The canonical SMILES for 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate is C=C(F)c1c(C(=O)O)nc(-c2ccc3cc[nH]c3c2F)c(F)c1N.CC(=O)c1nc(-c2cc(F)c3[nH]ccc3c2)c(F)c(N)c1Cl.CC(=O)c1nc(-c2ccc3cc[nH]c3c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(/N=C/N(C)C)c1Cl.COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.

What is the InChIKey of 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?

The InChIKey is JCGNBHKJTSNZDM-NGMQSETRSA-N. The full InChI is InChI=1S/C18H15ClF2N4O2.C16H10F3N3O2.C15H10ClF2N3O2.C15H10ClF2N3O.C15H11ClFN3O/c1-25(2)8-23-16-11(19)17(18(26)27-3)24-15(13(16)21)10-5-4-9-6-7-22-14(9)12(10)20;1-6(17)9-12(20)11(19)14(22-15(9)16(23)24)8-3-2-7-4-5-21-13(7)10(8)18;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;1-6(22)13-10(16)12(19)11(18)15(21-13)8-4-7-2-3-20-14(7)9(17)5-8;1-7(21)14-11(16)13(18)12(17)15(20-14)9-3-2-8-4-5-19-10(8)6-9/h4-8,22H,1-3H3;2-5,21H,1H2,(H2,20,22)(H,23,24);2-5,20H,1H3,(H2,19,21);2-5,20H,1H3,(H2,19,21);2-6,19H,1H3,(H2,18,20)/b23-8+;;;;.

What are the key properties of 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?

1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate has a molecular weight of 1689.21 g/mol, XLogP of 19.18, 13 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;4-amino-5-fluoro-3-(1-fluoroethenyl)-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate;methyl 3-chloro-4-(dimethylaminomethylideneamino)-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate is sourced from PubChem (CID 158874499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).