5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone

C44H32Cl3FN6O4 — CID 158202603

About 5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone

5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone (PubChem CID 158202603) has the molecular formula C44H32Cl3FN6O4 and a molecular weight of 834.13 g/mol. Its IUPAC name is 5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone.

Molecular Properties

• Compound Name: 5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone
• PubChem CID: 158202603
• Molecular Formula: C44H32Cl3FN6O4
• Molecular Weight: 834.13 g/mol
• Exact Mass: 832.15
• IUPAC Name: 5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone
• SMILES: CC(=O)c1ccc2[nH]ccc2c1.CC(=O)c1ccc2c(ccn2-c2ccc(Cl)cn2)c1.Fc1ccc(Cl)cn1.O=C(O)c1ccc2c(ccn2-c2ccc(Cl)cn2)c1
• InChI: InChI=1S/C15H11ClN2O.C14H9ClN2O2.C10H9NO.C5H3ClFN/c1-10(19)11-2-4-14-12(8-11)6-7-18(14)15-5-3-13(16)9-17-15;15-11-2-4-13(16-8-11)17-6-5-9-7-10(14(18)19)1-3-12(9)17;1-7(12)8-2-3-10-9(6-8)4-5-11-10;6-4-1-2-5(7)8-3-4/h2-9H,1H3;1-8H,(H,18,19);2-6,11H,1H3;1-3H
• InChIKey: GBCSJFKJPBKYLU-UHFFFAOYSA-N
• XLogP: 11.50
• TPSA: 135.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.13
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone?

The IUPAC name of 5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone (CID 158202603) is 5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone.

What is the SMILES notation for 5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone?

The canonical SMILES for 5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone is CC(=O)c1ccc2[nH]ccc2c1.CC(=O)c1ccc2c(ccn2-c2ccc(Cl)cn2)c1.Fc1ccc(Cl)cn1.O=C(O)c1ccc2c(ccn2-c2ccc(Cl)cn2)c1.

What is the InChIKey of 5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone?

The InChIKey is GBCSJFKJPBKYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O.C14H9ClN2O2.C10H9NO.C5H3ClFN/c1-10(19)11-2-4-14-12(8-11)6-7-18(14)15-5-3-13(16)9-17-15;15-11-2-4-13(16-8-11)17-6-5-9-7-10(14(18)19)1-3-12(9)17;1-7(12)8-2-3-10-9(6-8)4-5-11-10;6-4-1-2-5(7)8-3-4/h2-9H,1H3;1-8H,(H,18,19);2-6,11H,1H3;1-3H.

What are the key properties of 5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone?

5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone has a molecular weight of 834.13 g/mol, XLogP of 11.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-fluoropyridine;1-(5-chloro-2-pyridinyl)indole-5-carboxylic acid;1-[1-(5-chloro-2-pyridinyl)indol-5-yl]ethanone;1-(1H-indol-5-yl)ethanone is sourced from PubChem (CID 158202603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).