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

C18H13BrN2 — CID 668067

IUPACN-(4-bromophenyl)-1-phenyl-1-pyridin-4-ylmethanimine
SMILESBrc1ccc(/N=C(\c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C18H13BrN2/c19-16-6-8-17(9-7-16)21-18(14-4-2-1-3-5-14)15-10-12-20-13-11-15/h1-13H/b21-18+
InChIKeyPCFXIKFHNGCKDC-DYTRJAOYSA-N
MW337.22 g/mol
LogP5.01
Rot. Bonds3

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

N-(4-bromophenyl)-1-phenyl-1-pyridin-4-ylmethanimine (PubChem CID 668067) has the molecular formula C18H13BrN2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-phenyl-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-phenyl-1-pyridin-4-ylmethanimine
PubChem CID668067
Molecular FormulaC18H13BrN2
Molecular Weight337.22 g/mol
Exact Mass336.03
IUPAC NameN-(4-bromophenyl)-1-phenyl-1-pyridin-4-ylmethanimine
SMILESBrc1ccc(/N=C(\c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C18H13BrN2/c19-16-6-8-17(9-7-16)21-18(14-4-2-1-3-5-14)15-10-12-20-13-11-15/h1-13H/b21-18+
InChIKeyPCFXIKFHNGCKDC-DYTRJAOYSA-N
XLogP5.01
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.22
LogP ≤ 55.01
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-phenyl-1-pyridin-4-ylmethanimine?
The IUPAC name of N-(4-bromophenyl)-1-phenyl-1-pyridin-4-ylmethanimine (CID 668067) is N-(4-bromophenyl)-1-phenyl-1-pyridin-4-ylmethanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-phenyl-1-pyridin-4-ylmethanimine?
The canonical SMILES for N-(4-bromophenyl)-1-phenyl-1-pyridin-4-ylmethanimine is Brc1ccc(/N=C(\c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-phenyl-1-pyridin-4-ylmethanimine?
The InChIKey is PCFXIKFHNGCKDC-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H13BrN2/c19-16-6-8-17(9-7-16)21-18(14-4-2-1-3-5-14)15-10-12-20-13-11-15/h1-13H/b21-18+.
What are the key properties of N-(4-bromophenyl)-1-phenyl-1-pyridin-4-ylmethanimine?
N-(4-bromophenyl)-1-phenyl-1-pyridin-4-ylmethanimine has a molecular weight of 337.22 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-phenyl-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 668067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).