N-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine

C19H14Br2N2 — CID 139416254

IUPACN-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine
SMILESBrc1ccc(Br)c(/C=N/C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H14Br2N2/c20-16-11-12-18(21)23-17(16)13-22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H/b22-13+
InChIKeyPHOJDRJPFFETLY-LPYMAVHISA-N
MW430.14 g/mol
LogP5.82
Rot. Bonds4

About N-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine

N-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine (PubChem CID 139416254) has the molecular formula C19H14Br2N2 and a molecular weight of 430.14 g/mol. Its IUPAC name is N-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine.

Molecular Properties

Compound NameN-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine
PubChem CID139416254
Molecular FormulaC19H14Br2N2
Molecular Weight430.14 g/mol
Exact Mass427.95
IUPAC NameN-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine
SMILESBrc1ccc(Br)c(/C=N/C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H14Br2N2/c20-16-11-12-18(21)23-17(16)13-22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H/b22-13+
InChIKeyPHOJDRJPFFETLY-LPYMAVHISA-N
XLogP5.82
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.14
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine?
The IUPAC name of N-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine (CID 139416254) is N-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine.
What is the SMILES notation for N-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine?
The canonical SMILES for N-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine is Brc1ccc(Br)c(/C=N/C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine?
The InChIKey is PHOJDRJPFFETLY-LPYMAVHISA-N. The full InChI is InChI=1S/C19H14Br2N2/c20-16-11-12-18(21)23-17(16)13-22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H/b22-13+.
What are the key properties of N-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine?
N-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine has a molecular weight of 430.14 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(3,6-dibromo-2-pyridinyl)methanimine is sourced from PubChem (CID 139416254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).