2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine

C21H15BrCl2F2INO2 — CID 166136501

IUPAC2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine
SMILESFc1cc(I)c(COCCc2cc(Cl)cc(F)c2COc2cccc(Cl)n2)cc1Br
InChIInChI=1S/C21H15BrCl2F2INO2/c22-16-7-13(19(27)9-18(16)26)10-29-5-4-12-6-14(23)8-17(25)15(12)11-30-21-3-1-2-20(24)28-21/h1-3,6-9H,4-5,10-11H2
InChIKeyUHLURTBDXVAXNV-UHFFFAOYSA-N
MW629.07 g/mol
LogP7.37
Rot. Bonds8

About 2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine

2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine (PubChem CID 166136501) has the molecular formula C21H15BrCl2F2INO2 and a molecular weight of 629.07 g/mol. Its IUPAC name is 2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine.

Molecular Properties

Compound Name2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine
PubChem CID166136501
Molecular FormulaC21H15BrCl2F2INO2
Molecular Weight629.07 g/mol
Exact Mass626.87
IUPAC Name2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine
SMILESFc1cc(I)c(COCCc2cc(Cl)cc(F)c2COc2cccc(Cl)n2)cc1Br
InChIInChI=1S/C21H15BrCl2F2INO2/c22-16-7-13(19(27)9-18(16)26)10-29-5-4-12-6-14(23)8-17(25)15(12)11-30-21-3-1-2-20(24)28-21/h1-3,6-9H,4-5,10-11H2
InChIKeyUHLURTBDXVAXNV-UHFFFAOYSA-N
XLogP7.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.07
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine with MolForge

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Related Compounds

2-Bromo-6-((4-chloro-2-fluorophenyl)methoxy)pyridine
CID 155190515
2-Bromo-6-[(5-chloro-2-fluorophenyl)methoxy]pyridine
CID 156307234
2-Bromo-6-[(4-chloro-2,6-difluorophenyl)methoxy]pyridine
CID 166089441
6-Bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine
CID 166089537
6-Bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine
CID 166089559
2-Bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine
CID 166089631
2-Bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine
CID 166089670
2-Bromo-6-[(4-chloro-2,5-difluorophenyl)methoxy]pyridine
CID 166089773
2-Bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine
CID 166089836
2-Bromo-6-[(4-chloro-3-fluorophenyl)methoxy]pyridine
CID 166089922
2-[[2-[(5-Bromo-4-fluoro-2-iodophenyl)methoxymethyl]-4-chlorophenyl]methoxy]-6-chloropyridine
CID 166136060
2-[[2-[2-[(5-Bromo-4-fluoro-2-methylphenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine
CID 166136072

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine?
The IUPAC name of 2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine (CID 166136501) is 2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine.
What is the SMILES notation for 2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine?
The canonical SMILES for 2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine is Fc1cc(I)c(COCCc2cc(Cl)cc(F)c2COc2cccc(Cl)n2)cc1Br.
What is the InChIKey of 2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine?
The InChIKey is UHLURTBDXVAXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrCl2F2INO2/c22-16-7-13(19(27)9-18(16)26)10-29-5-4-12-6-14(23)8-17(25)15(12)11-30-21-3-1-2-20(24)28-21/h1-3,6-9H,4-5,10-11H2.
What are the key properties of 2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine?
2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine has a molecular weight of 629.07 g/mol, XLogP of 7.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[(5-bromo-4-fluoro-2-iodophenyl)methoxy]ethyl]-4-chloro-6-fluorophenyl]methoxy]-6-chloropyridine is sourced from PubChem (CID 166136501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).