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

C8H11BrN2O — CID 63961304

IUPAC6-bromo-N-(2-methoxyethyl)pyridin-2-amine
SMILESCOCCNc1cccc(Br)n1
InChIInChI=1S/C8H11BrN2O/c1-12-6-5-10-8-4-2-3-7(9)11-8/h2-4H,5-6H2,1H3,(H,10,11)
InChIKeyXIJCQZWMUQBZDJ-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.90
Rot. Bonds4

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

6-bromo-N-(2-methoxyethyl)pyridin-2-amine (PubChem CID 63961304) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 6-bromo-N-(2-methoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-methoxyethyl)pyridin-2-amine
PubChem CID63961304
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name6-bromo-N-(2-methoxyethyl)pyridin-2-amine
SMILESCOCCNc1cccc(Br)n1
InChIInChI=1S/C8H11BrN2O/c1-12-6-5-10-8-4-2-3-7(9)11-8/h2-4H,5-6H2,1H3,(H,10,11)
InChIKeyXIJCQZWMUQBZDJ-UHFFFAOYSA-N
XLogP1.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.90
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-methoxyethyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(2-methoxyethyl)pyridin-2-amine (CID 63961304) is 6-bromo-N-(2-methoxyethyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(2-methoxyethyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(2-methoxyethyl)pyridin-2-amine is COCCNc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2-methoxyethyl)pyridin-2-amine?
The InChIKey is XIJCQZWMUQBZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-12-6-5-10-8-4-2-3-7(9)11-8/h2-4H,5-6H2,1H3,(H,10,11).
What are the key properties of 6-bromo-N-(2-methoxyethyl)pyridin-2-amine?
6-bromo-N-(2-methoxyethyl)pyridin-2-amine has a molecular weight of 231.09 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methoxyethyl)pyridin-2-amine is sourced from PubChem (CID 63961304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).