N-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine

C12H8BrClN2 — CID 2725269

IUPACN-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine
SMILESClc1cc(Br)ccc1/N=C/c1cccnc1
InChIInChI=1S/C12H8BrClN2/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h1-8H/b16-8+
InChIKeyLOSWOSGPHTUFAO-LZYBPNLTSA-N
MW295.57 g/mol
LogP4.25
Rot. Bonds2

About N-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine

N-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine (PubChem CID 2725269) has the molecular formula C12H8BrClN2 and a molecular weight of 295.57 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine
PubChem CID2725269
Molecular FormulaC12H8BrClN2
Molecular Weight295.57 g/mol
Exact Mass293.96
IUPAC NameN-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine
SMILESClc1cc(Br)ccc1/N=C/c1cccnc1
InChIInChI=1S/C12H8BrClN2/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h1-8H/b16-8+
InChIKeyLOSWOSGPHTUFAO-LZYBPNLTSA-N
XLogP4.25
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.57
LogP ≤ 54.25
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-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine (CID 2725269) is N-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine is Clc1cc(Br)ccc1/N=C/c1cccnc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine?
The InChIKey is LOSWOSGPHTUFAO-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H8BrClN2/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h1-8H/b16-8+.
What are the key properties of N-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine?
N-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine has a molecular weight of 295.57 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 2725269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).