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

C10H15BrN2O2 — CID 71871210

IUPAC5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine
SMILESCOCCOCCNc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-14-4-5-15-3-2-13-10-6-9(11)7-12-8-10/h6-8,13H,2-5H2,1H3
InChIKeyONHPVFVCVFNFDR-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.92
Rot. Bonds7

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

5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine (PubChem CID 71871210) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine
PubChem CID71871210
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine
SMILESCOCCOCCNc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-14-4-5-15-3-2-13-10-6-9(11)7-12-8-10/h6-8,13H,2-5H2,1H3
InChIKeyONHPVFVCVFNFDR-UHFFFAOYSA-N
XLogP1.92
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine (CID 71871210) is 5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine is COCCOCCNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine?
The InChIKey is ONHPVFVCVFNFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-14-4-5-15-3-2-13-10-6-9(11)7-12-8-10/h6-8,13H,2-5H2,1H3.
What are the key properties of 5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine?
5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine has a molecular weight of 275.15 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methoxyethoxy)ethyl]pyridin-3-amine is sourced from PubChem (CID 71871210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).