7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate

C₈₂H₇₃FN₁₀O₈ — CID 159130321

About 7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate

7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate (PubChem CID 159130321) has the molecular formula C₈₂H₇₃FN₁₀O₈ and a molecular weight of 1345.55 g/mol. Its IUPAC name is 7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate.

Molecular Properties

• Compound Name: 7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate
• PubChem CID: 159130321
• Molecular Formula: C₈₂H₇₃FN₁₀O₈
• Molecular Weight: 1345.55 g/mol
• Exact Mass: 1344.56
• IUPAC Name: 7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate
• SMILES: CCc1cccc2cc[nH]c12.COC(=O)c1cccc2cc[nH]c12.COc1cccc2cc[nH]c12.Cc1cccc2cc[nH]c12.Fc1cccc2cc[nH]c12.N#CCOc1cccc2cc[nH]c12.O=C(O)c1cccc2cc[nH]c12.O=Cc1cccc2cc[nH]c12.Oc1cccc2cc[nH]c12
• InChI: InChI=1S/C10H8N2O.C10H9NO2.C10H11N.C9H7NO2.C9H9NO.C9H7NO.C9H9N.C8H6FN.C8H7NO/c11-5-7-13-9-3-1-2-8-4-6-12-10(8)9;1-13-10(12)8-4-2-3-7-5-6-11-9(7)8;1-2-8-4-3-5-9-6-7-11-10(8)9;11-9(12)7-3-1-2-6-4-5-10-8(6)7;1-11-8-4-2-3-7-5-6-10-9(7)8;11-6-8-3-1-2-7-4-5-10-9(7)8;1-7-3-2-4-8-5-6-10-9(7)8;9-7-3-1-2-6-4-5-10-8(6)7;10-7-3-1-2-6-4-5-9-8(6)7/h1-4,6,12H,7H2;2-6,11H,1H3;3-7,11H,2H2,1H3;1-5,10H,(H,11,12);2-6,10H,1H3;1-6,10H;2-6,10H,1H3;1-5,10H;1-5,9-10H
• InChIKey: KGUPKAKXDRJPTL-UHFFFAOYSA-N
• XLogP: 19.43
• TPSA: 285.26 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1345.55
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate?

The IUPAC name of 7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate (CID 159130321) is 7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate.

What is the SMILES notation for 7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate?

The canonical SMILES for 7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate is CCc1cccc2cc[nH]c12.COC(=O)c1cccc2cc[nH]c12.COc1cccc2cc[nH]c12.Cc1cccc2cc[nH]c12.Fc1cccc2cc[nH]c12.N#CCOc1cccc2cc[nH]c12.O=C(O)c1cccc2cc[nH]c12.O=Cc1cccc2cc[nH]c12.Oc1cccc2cc[nH]c12.

What is the InChIKey of 7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate?

The InChIKey is KGUPKAKXDRJPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O.C10H9NO2.C10H11N.C9H7NO2.C9H9NO.C9H7NO.C9H9N.C8H6FN.C8H7NO/c11-5-7-13-9-3-1-2-8-4-6-12-10(8)9;1-13-10(12)8-4-2-3-7-5-6-11-9(7)8;1-2-8-4-3-5-9-6-7-11-10(8)9;11-9(12)7-3-1-2-6-4-5-10-8(6)7;1-11-8-4-2-3-7-5-6-10-9(7)8;11-6-8-3-1-2-7-4-5-10-9(7)8;1-7-3-2-4-8-5-6-10-9(7)8;9-7-3-1-2-6-4-5-10-8(6)7;10-7-3-1-2-6-4-5-9-8(6)7/h1-4,6,12H,7H2;2-6,11H,1H3;3-7,11H,2H2,1H3;1-5,10H,(H,11,12);2-6,10H,1H3;1-6,10H;2-6,10H,1H3;1-5,10H;1-5,9-10H.

What are the key properties of 7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate?

7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate has a molecular weight of 1345.55 g/mol, XLogP of 19.43, 7 rotatable bonds, 11 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-1H-indole;7-fluoro-1H-indole;1H-indole-7-carbaldehyde;1H-indole-7-carboxylic acid;1H-indol-7-ol;2-(1H-indol-7-yloxy)acetonitrile;7-methoxy-1H-indole;7-methyl-1H-indole;methyl 1H-indole-7-carboxylate is sourced from PubChem (CID 159130321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159130321 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.