5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine

C11H17BrN2O3 — CID 103400992

IUPAC5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine
SMILESCOCCOCCCOc1ncc(Br)cc1N
InChIInChI=1S/C11H17BrN2O3/c1-15-5-6-16-3-2-4-17-11-10(13)7-9(12)8-14-11/h7-8H,2-6,13H2,1H3
InChIKeyOFKOFQMZGJKQJB-UHFFFAOYSA-N
MW305.17 g/mol
LogP1.86
Rot. Bonds8

About 5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine

5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine (PubChem CID 103400992) has the molecular formula C11H17BrN2O3 and a molecular weight of 305.17 g/mol. Its IUPAC name is 5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine
PubChem CID103400992
Molecular FormulaC11H17BrN2O3
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC Name5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine
SMILESCOCCOCCCOc1ncc(Br)cc1N
InChIInChI=1S/C11H17BrN2O3/c1-15-5-6-16-3-2-4-17-11-10(13)7-9(12)8-14-11/h7-8H,2-6,13H2,1H3
InChIKeyOFKOFQMZGJKQJB-UHFFFAOYSA-N
XLogP1.86
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
CID 104564186
5-amino-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carbonitrile
CID 103469800
5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid
CID 104560416
4-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103400937
[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine
CID 103405668
2-(2-butoxyethoxy)pyridine-3,5-diamine
CID 19913402
5-bromo-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine
CID 61228872
5-bromo-4-[3-(2-methoxyethoxy)propoxy]-2-methylaniline
CID 114048423
3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine
CID 103404124
N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 104566317
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine?
The IUPAC name of 5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine (CID 103400992) is 5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine?
The canonical SMILES for 5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine is COCCOCCCOc1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine?
The InChIKey is OFKOFQMZGJKQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3/c1-15-5-6-16-3-2-4-17-11-10(13)7-9(12)8-14-11/h7-8H,2-6,13H2,1H3.
What are the key properties of 5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine?
5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine has a molecular weight of 305.17 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine is sourced from PubChem (CID 103400992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).