2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane

C56H63Cl7F2N6O9 — CID 159708723

About 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane

2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane (PubChem CID 159708723) has the molecular formula C56H63Cl7F2N6O9 and a molecular weight of 1250.32 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane.

Molecular Properties

• Compound Name: 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane
• PubChem CID: 159708723
• Molecular Formula: C56H63Cl7F2N6O9
• Molecular Weight: 1250.32 g/mol
• Exact Mass: 1246.24
• IUPAC Name: 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane
• SMILES: C.C.C.C.C.COCCOc1ccc(Cl)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1Cl.COCCOc1ccc(F)c(C(O)c2c[nH]c3ncc(Cl)cc23)c1Cl.COCCOc1ccc(F)c(C=O)c1Cl.Clc1cnc2[nH]ccc2c1
• InChI: InChI=1S/C17H13Cl3N2O3.C17H15Cl2FN2O3.C10H10ClFO3.C7H5ClN2.5CH4/c1-24-4-5-25-13-3-2-12(19)14(15(13)20)16(23)11-8-22-17-10(11)6-9(18)7-21-17;1-24-4-5-25-13-3-2-12(20)14(15(13)19)16(23)11-8-22-17-10(11)6-9(18)7-21-17;1-14-4-5-15-9-3-2-8(12)7(6-13)10(9)11;8-6-3-5-1-2-9-7(5)10-4-6;;;;;/h2-3,6-8H,4-5H2,1H3,(H,21,22);2-3,6-8,16,23H,4-5H2,1H3,(H,21,22);2-3,6H,4-5H2,1H3;1-4H,(H,9,10);5*1H4
• InChIKey: MYOCQIMEMOJUJE-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 195.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1250.32
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane?

The IUPAC name of 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane (CID 159708723) is 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane.

What is the SMILES notation for 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane?

The canonical SMILES for 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane is C.C.C.C.C.COCCOc1ccc(Cl)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1Cl.COCCOc1ccc(F)c(C(O)c2c[nH]c3ncc(Cl)cc23)c1Cl.COCCOc1ccc(F)c(C=O)c1Cl.Clc1cnc2[nH]ccc2c1.

What is the InChIKey of 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane?

The InChIKey is MYOCQIMEMOJUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O3.C17H15Cl2FN2O3.C10H10ClFO3.C7H5ClN2.5CH4/c1-24-4-5-25-13-3-2-12(19)14(15(13)20)16(23)11-8-22-17-10(11)6-9(18)7-21-17;1-24-4-5-25-13-3-2-12(20)14(15(13)19)16(23)11-8-22-17-10(11)6-9(18)7-21-17;1-14-4-5-15-9-3-2-8(12)7(6-13)10(9)11;8-6-3-5-1-2-9-7(5)10-4-6;;;;;/h2-3,6-8H,4-5H2,1H3,(H,21,22);2-3,6-8,16,23H,4-5H2,1H3,(H,21,22);2-3,6H,4-5H2,1H3;1-4H,(H,9,10);5*1H4.

What are the key properties of 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane?

2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane has a molecular weight of 1250.32 g/mol, XLogP of 16.61, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde;[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-dichloro-3-(2-methoxyethoxy)phenyl]methanone;methane is sourced from PubChem (CID 159708723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).