N-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine

C13H12BrN3 — CID 70284293

IUPACN-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine
SMILESCc1cnc(N=CCc2ccncc2)c(Br)c1
InChIInChI=1S/C13H12BrN3/c1-10-8-12(14)13(17-9-10)16-7-4-11-2-5-15-6-3-11/h2-3,5-9H,4H2,1H3
InChIKeyYBKOXOOTNVFFBY-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.49
Rot. Bonds3

About N-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine

N-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine (PubChem CID 70284293) has the molecular formula C13H12BrN3 and a molecular weight of 290.16 g/mol. Its IUPAC name is N-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine.

Molecular Properties

Compound NameN-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine
PubChem CID70284293
Molecular FormulaC13H12BrN3
Molecular Weight290.16 g/mol
Exact Mass289.02
IUPAC NameN-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine
SMILESCc1cnc(N=CCc2ccncc2)c(Br)c1
InChIInChI=1S/C13H12BrN3/c1-10-8-12(14)13(17-9-10)16-7-4-11-2-5-15-6-3-11/h2-3,5-9H,4H2,1H3
InChIKeyYBKOXOOTNVFFBY-UHFFFAOYSA-N
XLogP3.49
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine?
The IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine (CID 70284293) is N-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine.
What is the SMILES notation for N-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine?
The canonical SMILES for N-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine is Cc1cnc(N=CCc2ccncc2)c(Br)c1.
What is the InChIKey of N-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine?
The InChIKey is YBKOXOOTNVFFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3/c1-10-8-12(14)13(17-9-10)16-7-4-11-2-5-15-6-3-11/h2-3,5-9H,4H2,1H3.
What are the key properties of N-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine?
N-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine has a molecular weight of 290.16 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methyl-2-pyridinyl)-2-pyridin-4-ylethanimine is sourced from PubChem (CID 70284293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).