5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid

C13H18BrNO6 — CID 104560416

IUPAC5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid
SMILESCOCCOCCOCCOc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C13H18BrNO6/c1-18-2-3-19-4-5-20-6-7-21-12-11(13(16)17)8-10(14)9-15-12/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyXNXKLSQSFUVJEX-UHFFFAOYSA-N
MW364.19 g/mol
LogP1.60
Rot. Bonds11

About 5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid

5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid (PubChem CID 104560416) has the molecular formula C13H18BrNO6 and a molecular weight of 364.19 g/mol. Its IUPAC name is 5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid
PubChem CID104560416
Molecular FormulaC13H18BrNO6
Molecular Weight364.19 g/mol
Exact Mass363.03
IUPAC Name5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid
SMILESCOCCOCCOCCOc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C13H18BrNO6/c1-18-2-3-19-4-5-20-6-7-21-12-11(13(16)17)8-10(14)9-15-12/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyXNXKLSQSFUVJEX-UHFFFAOYSA-N
XLogP1.60
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-methylbut-3-enoxy)pyridine-3-carboxylic acid
CID 114469984
[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
CID 104564186
5-bromo-2-pent-4-enoxypyridine-3-carboxylic acid
CID 79114372
5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-methylbenzoic acid
CID 112620899
5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine
CID 103400992
5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365
N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 104566317
5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide
CID 62001049
4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid
CID 102383084
5-bromo-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
CID 55170952
5-bromo-2-methoxy-N-methylpyridine-3-carboxamide
CID 25114918
5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid
CID 103566598

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid (CID 104560416) is 5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid is COCCOCCOCCOc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid?
The InChIKey is XNXKLSQSFUVJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO6/c1-18-2-3-19-4-5-20-6-7-21-12-11(13(16)17)8-10(14)9-15-12/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid?
5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid has a molecular weight of 364.19 g/mol, XLogP of 1.60, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 104560416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).