5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine

C12H12BrN3O — CID 71874714

IUPAC5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine
SMILESBrc1ccc(NCCOc2cccnc2)nc1
InChIInChI=1S/C12H12BrN3O/c13-10-3-4-12(16-8-10)15-6-7-17-11-2-1-5-14-9-11/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyWAXDZQAUSIXSFO-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.73
Rot. Bonds5

About 5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine

5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine (PubChem CID 71874714) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine
PubChem CID71874714
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine
SMILESBrc1ccc(NCCOc2cccnc2)nc1
InChIInChI=1S/C12H12BrN3O/c13-10-3-4-12(16-8-10)15-6-7-17-11-2-1-5-14-9-11/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyWAXDZQAUSIXSFO-UHFFFAOYSA-N
XLogP2.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.73
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-pyridin-3-yloxyethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine (CID 71874714) is 5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine is Brc1ccc(NCCOc2cccnc2)nc1.
What is the InChIKey of 5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine?
The InChIKey is WAXDZQAUSIXSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-3-4-12(16-8-10)15-6-7-17-11-2-1-5-14-9-11/h1-5,8-9H,6-7H2,(H,15,16).
What are the key properties of 5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine?
5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine has a molecular weight of 294.15 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine is sourced from PubChem (CID 71874714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).