N-(4-bromophenyl)-1-pyridin-2-ylmethanimine

C12H9BrN2 — CID 1240080

IUPACN-(4-bromophenyl)-1-pyridin-2-ylmethanimine
SMILESBrc1ccc(/N=C/c2ccccn2)cc1
InChIInChI=1S/C12H9BrN2/c13-10-4-6-11(7-5-10)15-9-12-3-1-2-8-14-12/h1-9H/b15-9+
InChIKeyLTOKAWDMGFEDOZ-OQLLNIDSSA-N
MW261.12 g/mol
LogP3.59
Rot. Bonds2

About N-(4-bromophenyl)-1-pyridin-2-ylmethanimine

N-(4-bromophenyl)-1-pyridin-2-ylmethanimine (PubChem CID 1240080) has the molecular formula C12H9BrN2 and a molecular weight of 261.12 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-pyridin-2-ylmethanimine
PubChem CID1240080
Molecular FormulaC12H9BrN2
Molecular Weight261.12 g/mol
Exact Mass259.99
IUPAC NameN-(4-bromophenyl)-1-pyridin-2-ylmethanimine
SMILESBrc1ccc(/N=C/c2ccccn2)cc1
InChIInChI=1S/C12H9BrN2/c13-10-4-6-11(7-5-10)15-9-12-3-1-2-8-14-12/h1-9H/b15-9+
InChIKeyLTOKAWDMGFEDOZ-OQLLNIDSSA-N
XLogP3.59
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-bromophenyl)-1-pyridin-2-ylmethanimine?
The IUPAC name of N-(4-bromophenyl)-1-pyridin-2-ylmethanimine (CID 1240080) is N-(4-bromophenyl)-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-(4-bromophenyl)-1-pyridin-2-ylmethanimine is Brc1ccc(/N=C/c2ccccn2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-pyridin-2-ylmethanimine?
The InChIKey is LTOKAWDMGFEDOZ-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H9BrN2/c13-10-4-6-11(7-5-10)15-9-12-3-1-2-8-14-12/h1-9H/b15-9+.
What are the key properties of N-(4-bromophenyl)-1-pyridin-2-ylmethanimine?
N-(4-bromophenyl)-1-pyridin-2-ylmethanimine has a molecular weight of 261.12 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 1240080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).