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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Related Compounds

N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine
CID 76696793
(E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine
CID 25265136
(Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 131740882
1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine
CID 76696792
1-(6-bromo-2-pyridinyl)ethenol
CID 143676392
1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine
CID 76608187
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
(E)-N-[3-(6-bromo-2-pyridinyl)propoxy]-1-(6-methyl-2-pyridinyl)ethanimine;(E)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 172938985
2-bromo-6-[(Z)-but-2-en-2-yl]pyridine
CID 59525967
(E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine
CID 89419468
N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride
CID 172954645
N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine
CID 123316303

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).