1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine

C12H15BrN2O — CID 76696791

IUPAC1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine
SMILESC=C(CC)CON=C(C)c1cccc(Br)n1
InChIInChI=1S/C12H15BrN2O/c1-4-9(2)8-16-15-10(3)11-6-5-7-12(13)14-11/h5-7H,2,4,8H2,1,3H3
InChIKeyLHBLPTOVBPGBFT-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.55
Rot. Bonds5

About 1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine

1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine (PubChem CID 76696791) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine
PubChem CID76696791
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine
SMILESC=C(CC)CON=C(C)c1cccc(Br)n1
InChIInChI=1S/C12H15BrN2O/c1-4-9(2)8-16-15-10(3)11-6-5-7-12(13)14-11/h5-7H,2,4,8H2,1,3H3
InChIKeyLHBLPTOVBPGBFT-UHFFFAOYSA-N
XLogP3.55
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine (CID 76696791) is 1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine is C=C(CC)CON=C(C)c1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine?
The InChIKey is LHBLPTOVBPGBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-4-9(2)8-16-15-10(3)11-6-5-7-12(13)14-11/h5-7H,2,4,8H2,1,3H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine?
1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine has a molecular weight of 283.17 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine is sourced from PubChem (CID 76696791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).