1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine

C10H13BrN2O2 — CID 59108622

IUPAC1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine
SMILESCOC(C/N=C/c1cncc(Br)c1)OC
InChIInChI=1S/C10H13BrN2O2/c1-14-10(15-2)7-13-5-8-3-9(11)6-12-4-8/h3-6,10H,7H2,1-2H3/b13-5+
InChIKeyCQMOSPQSSOBDJN-WLRTZDKTSA-N
MW273.13 g/mol
LogP1.88
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine

1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine (PubChem CID 59108622) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine
PubChem CID59108622
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine
SMILESCOC(C/N=C/c1cncc(Br)c1)OC
InChIInChI=1S/C10H13BrN2O2/c1-14-10(15-2)7-13-5-8-3-9(11)6-12-4-8/h3-6,10H,7H2,1-2H3/b13-5+
InChIKeyCQMOSPQSSOBDJN-WLRTZDKTSA-N
XLogP1.88
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine (CID 59108622) is 1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine is COC(C/N=C/c1cncc(Br)c1)OC.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine?
The InChIKey is CQMOSPQSSOBDJN-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-14-10(15-2)7-13-5-8-3-9(11)6-12-4-8/h3-6,10H,7H2,1-2H3/b13-5+.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine?
1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine has a molecular weight of 273.13 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine is sourced from PubChem (CID 59108622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).