1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine

C25H28Br2N2O5 — CID 157231094

IUPAC1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCOc1ccc(Br)cc1.COCCOc1cnc2[nH]ccc2c1.Oc1ccc(Br)cc1
InChIInChI=1S/C10H12N2O2.C9H11BrO2.C6H5BrO/c1-13-4-5-14-9-6-8-2-3-11-10(8)12-7-9;1-11-6-7-12-9-4-2-8(10)3-5-9;7-5-1-3-6(8)4-2-5/h2-3,6-7H,4-5H2,1H3,(H,11,12);2-5H,6-7H2,1H3;1-4,8H
InChIKeyAUCLYRPTLGGBHO-UHFFFAOYSA-N
MW596.32 g/mol
LogP6.22
Rot. Bonds8

About 1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine

1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 157231094) has the molecular formula C25H28Br2N2O5 and a molecular weight of 596.32 g/mol. Its IUPAC name is 1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine
PubChem CID157231094
Molecular FormulaC25H28Br2N2O5
Molecular Weight596.32 g/mol
Exact Mass594.04
IUPAC Name1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCOc1ccc(Br)cc1.COCCOc1cnc2[nH]ccc2c1.Oc1ccc(Br)cc1
InChIInChI=1S/C10H12N2O2.C9H11BrO2.C6H5BrO/c1-13-4-5-14-9-6-8-2-3-11-10(8)12-7-9;1-11-6-7-12-9-4-2-8(10)3-5-9;7-5-1-3-6(8)4-2-5/h2-3,6-7H,4-5H2,1H3,(H,11,12);2-5H,6-7H2,1H3;1-4,8H
InChIKeyAUCLYRPTLGGBHO-UHFFFAOYSA-N
XLogP6.22
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.32
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-bromophenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166464574
2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}ethan-1-amine
CID 167716505
5-[(4-fluorophenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 59774820
4-fluoro-5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine
CID 60205717
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanol
CID 123677677
ethoxy-[4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol
CID 137546882
3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)oxy]-2,4-difluoroaniline
CID 146501921
5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146632979
5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 162754093
[2-[[4-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,5-difluorophenyl]methyl]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol
CID 167609421
[2-[[4-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,5-difluorophenyl]methyl]-5,6-dihydro-4H-1,3-oxazin-5-yl]methanol
CID 167642845
5-(Benzyloxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 129973877

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine (CID 157231094) is 1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine is COCCOc1ccc(Br)cc1.COCCOc1cnc2[nH]ccc2c1.Oc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AUCLYRPTLGGBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.C9H11BrO2.C6H5BrO/c1-13-4-5-14-9-6-8-2-3-11-10(8)12-7-9;1-11-6-7-12-9-4-2-8(10)3-5-9;7-5-1-3-6(8)4-2-5/h2-3,6-7H,4-5H2,1H3,(H,11,12);2-5H,6-7H2,1H3;1-4,8H.
What are the key properties of 1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine?
1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 596.32 g/mol, XLogP of 6.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-methoxyethoxy)benzene;4-bromophenol;5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157231094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).