(4-bromo-2-pyridinyl)methanimine

C6H5BrN2 — CID 118473919

IUPAC(4-bromo-2-pyridinyl)methanimine
SMILES[H]/N=C/c1cc(Br)ccn1
InChIInChI=1S/C6H5BrN2/c7-5-1-2-9-6(3-5)4-8/h1-4,8H/b8-4+
InChIKeyABCHOJIFVCFZQA-XBXARRHUSA-N
MW185.02 g/mol
LogP1.84
Rot. Bonds1

About (4-bromo-2-pyridinyl)methanimine

(4-bromo-2-pyridinyl)methanimine (PubChem CID 118473919) has the molecular formula C6H5BrN2 and a molecular weight of 185.02 g/mol. Its IUPAC name is (4-bromo-2-pyridinyl)methanimine.

Molecular Properties

Compound Name(4-bromo-2-pyridinyl)methanimine
PubChem CID118473919
Molecular FormulaC6H5BrN2
Molecular Weight185.02 g/mol
Exact Mass183.96
IUPAC Name(4-bromo-2-pyridinyl)methanimine
SMILES[H]/N=C/c1cc(Br)ccn1
InChIInChI=1S/C6H5BrN2/c7-5-1-2-9-6(3-5)4-8/h1-4,8H/b8-4+
InChIKeyABCHOJIFVCFZQA-XBXARRHUSA-N
XLogP1.84
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.02
LogP ≤ 51.84
H-Bond Donors ≤ 51
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 (4-bromo-2-pyridinyl)methanimine?
The IUPAC name of (4-bromo-2-pyridinyl)methanimine (CID 118473919) is (4-bromo-2-pyridinyl)methanimine.
What is the SMILES notation for (4-bromo-2-pyridinyl)methanimine?
The canonical SMILES for (4-bromo-2-pyridinyl)methanimine is [H]/N=C/c1cc(Br)ccn1.
What is the InChIKey of (4-bromo-2-pyridinyl)methanimine?
The InChIKey is ABCHOJIFVCFZQA-XBXARRHUSA-N. The full InChI is InChI=1S/C6H5BrN2/c7-5-1-2-9-6(3-5)4-8/h1-4,8H/b8-4+.
What are the key properties of (4-bromo-2-pyridinyl)methanimine?
(4-bromo-2-pyridinyl)methanimine has a molecular weight of 185.02 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-pyridinyl)methanimine is sourced from PubChem (CID 118473919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).