5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine

C19H21Br2NO3 — CID 129301985

IUPAC5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine
SMILESBrc1ccc(COCCOCCOC2Cc3ccc(Br)cc3C2)nc1
InChIInChI=1S/C19H21Br2NO3/c20-16-2-1-14-10-19(11-15(14)9-16)25-8-7-23-5-6-24-13-18-4-3-17(21)12-22-18/h1-4,9,12,19H,5-8,10-11,13H2
InChIKeyYRYBQCJNZLBXCM-UHFFFAOYSA-N
MW471.19 g/mol
LogP4.32
Rot. Bonds9

About 5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine

5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine (PubChem CID 129301985) has the molecular formula C19H21Br2NO3 and a molecular weight of 471.19 g/mol. Its IUPAC name is 5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine
PubChem CID129301985
Molecular FormulaC19H21Br2NO3
Molecular Weight471.19 g/mol
Exact Mass468.99
IUPAC Name5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine
SMILESBrc1ccc(COCCOCCOC2Cc3ccc(Br)cc3C2)nc1
InChIInChI=1S/C19H21Br2NO3/c20-16-2-1-14-10-19(11-15(14)9-16)25-8-7-23-5-6-24-13-18-4-3-17(21)12-22-18/h1-4,9,12,19H,5-8,10-11,13H2
InChIKeyYRYBQCJNZLBXCM-UHFFFAOYSA-N
XLogP4.32
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.19
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene
CID 129278102
2-[2-(azetidin-3-yloxy)ethyl]-5-bromopyridine
CID 165492873
5-bromo-2-(piperidin-4-yloxymethyl)pyridine
CID 104799559
5-bromo-2-[(3-bromophenoxy)methyl]pyridine
CID 104797443
5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine
CID 104809801
5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine
CID 104809745
1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine
CID 104799626
5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine
CID 104797402
5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine
CID 104809681
5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 162045632
6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 104801675

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine?
The IUPAC name of 5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine (CID 129301985) is 5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine?
The canonical SMILES for 5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine is Brc1ccc(COCCOCCOC2Cc3ccc(Br)cc3C2)nc1.
What is the InChIKey of 5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine?
The InChIKey is YRYBQCJNZLBXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2NO3/c20-16-2-1-14-10-19(11-15(14)9-16)25-8-7-23-5-6-24-13-18-4-3-17(21)12-22-18/h1-4,9,12,19H,5-8,10-11,13H2.
What are the key properties of 5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine?
5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine has a molecular weight of 471.19 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine is sourced from PubChem (CID 129301985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).