6-bromo-N-(2-ethoxyethyl)pyridin-2-amine

C9H13BrN2O — CID 63962795

IUPAC6-bromo-N-(2-ethoxyethyl)pyridin-2-amine
SMILESCCOCCNc1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O/c1-2-13-7-6-11-9-5-3-4-8(10)12-9/h3-5H,2,6-7H2,1H3,(H,11,12)
InChIKeyLTDURHMWXGPTLF-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.29
Rot. Bonds5

About 6-bromo-N-(2-ethoxyethyl)pyridin-2-amine

6-bromo-N-(2-ethoxyethyl)pyridin-2-amine (PubChem CID 63962795) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 6-bromo-N-(2-ethoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-ethoxyethyl)pyridin-2-amine
PubChem CID63962795
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name6-bromo-N-(2-ethoxyethyl)pyridin-2-amine
SMILESCCOCCNc1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O/c1-2-13-7-6-11-9-5-3-4-8(10)12-9/h3-5H,2,6-7H2,1H3,(H,11,12)
InChIKeyLTDURHMWXGPTLF-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-ethoxyethyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(2-ethoxyethyl)pyridin-2-amine (CID 63962795) is 6-bromo-N-(2-ethoxyethyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(2-ethoxyethyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(2-ethoxyethyl)pyridin-2-amine is CCOCCNc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2-ethoxyethyl)pyridin-2-amine?
The InChIKey is LTDURHMWXGPTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-2-13-7-6-11-9-5-3-4-8(10)12-9/h3-5H,2,6-7H2,1H3,(H,11,12).
What are the key properties of 6-bromo-N-(2-ethoxyethyl)pyridin-2-amine?
6-bromo-N-(2-ethoxyethyl)pyridin-2-amine has a molecular weight of 245.12 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-ethoxyethyl)pyridin-2-amine is sourced from PubChem (CID 63962795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).