5-bromo-4-(2-butoxyethoxy)pyridin-3-amine

C11H17BrN2O2 — CID 103518731

IUPAC5-bromo-4-(2-butoxyethoxy)pyridin-3-amine
SMILESCCCCOCCOc1c(N)cncc1Br
InChIInChI=1S/C11H17BrN2O2/c1-2-3-4-15-5-6-16-11-9(12)7-14-8-10(11)13/h7-8H,2-6,13H2,1H3
InChIKeyOKUMTHLXGPQMJZ-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.62
Rot. Bonds7

About 5-bromo-4-(2-butoxyethoxy)pyridin-3-amine

5-bromo-4-(2-butoxyethoxy)pyridin-3-amine (PubChem CID 103518731) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 5-bromo-4-(2-butoxyethoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(2-butoxyethoxy)pyridin-3-amine
PubChem CID103518731
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name5-bromo-4-(2-butoxyethoxy)pyridin-3-amine
SMILESCCCCOCCOc1c(N)cncc1Br
InChIInChI=1S/C11H17BrN2O2/c1-2-3-4-15-5-6-16-11-9(12)7-14-8-10(11)13/h7-8H,2-6,13H2,1H3
InChIKeyOKUMTHLXGPQMJZ-UHFFFAOYSA-N
XLogP2.62
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
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-4-propoxypyridin-3-amine
CID 103518752
5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine
CID 103518774
5-bromo-4-N-(3-butoxypropyl)pyridine-3,4-diamine
CID 103518486
5-bromo-4-[2-(dimethylamino)ethoxy]pyridin-3-amine
CID 103518771
4-(2-butoxyethoxy)quinolin-3-amine
CID 103963666
2-(2-butoxyethoxy)pyridine-3,5-diamine
CID 19913402
4-bromo-3-(2-butoxyethoxy)aniline
CID 103009126
3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline
CID 106449299
2-amino-4-bromo-5-(2-butoxyethoxy)benzoic acid
CID 114278437
5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine
CID 106999157
3-bromo-5-tert-butyl-2-(2-propoxyethoxy)aniline
CID 54853170
6-(2-butoxyethoxy)pyridin-3-amine
CID 3031377

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-butoxyethoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(2-butoxyethoxy)pyridin-3-amine (CID 103518731) is 5-bromo-4-(2-butoxyethoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(2-butoxyethoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(2-butoxyethoxy)pyridin-3-amine is CCCCOCCOc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-(2-butoxyethoxy)pyridin-3-amine?
The InChIKey is OKUMTHLXGPQMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-2-3-4-15-5-6-16-11-9(12)7-14-8-10(11)13/h7-8H,2-6,13H2,1H3.
What are the key properties of 5-bromo-4-(2-butoxyethoxy)pyridin-3-amine?
5-bromo-4-(2-butoxyethoxy)pyridin-3-amine has a molecular weight of 289.17 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-butoxyethoxy)pyridin-3-amine is sourced from PubChem (CID 103518731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).