(6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten

C7H8BrN2OW- — CID 157026840

IUPAC(6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten
SMILESCO.[N-]=Cc1cccc(Br)n1.[W]
InChIInChI=1S/C6H4BrN2.CH4O.W/c7-6-3-1-2-5(4-8)9-6;1-2;/h1-4H;2H,1H3;/q-1;;
InChIKeyZBADCBAXHSTRJH-UHFFFAOYSA-N
MW399.90 g/mol
LogP1.44
Rot. Bonds1

About (6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten

(6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten (PubChem CID 157026840) has the molecular formula C7H8BrN2OW- and a molecular weight of 399.90 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten
PubChem CID157026840
Molecular FormulaC7H8BrN2OW-
Molecular Weight399.90 g/mol
Exact Mass398.93
IUPAC Name(6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten
SMILESCO.[N-]=Cc1cccc(Br)n1.[W]
InChIInChI=1S/C6H4BrN2.CH4O.W/c7-6-3-1-2-5(4-8)9-6;1-2;/h1-4H;2H,1H3;/q-1;;
InChIKeyZBADCBAXHSTRJH-UHFFFAOYSA-N
XLogP1.44
TPSA55.42 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 51.44
H-Bond Donors ≤ 51
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 (6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten?
The IUPAC name of (6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten (CID 157026840) is (6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten.
What is the SMILES notation for (6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten?
The canonical SMILES for (6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten is CO.[N-]=Cc1cccc(Br)n1.[W].
What is the InChIKey of (6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten?
The InChIKey is ZBADCBAXHSTRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN2.CH4O.W/c7-6-3-1-2-5(4-8)9-6;1-2;/h1-4H;2H,1H3;/q-1;;.
What are the key properties of (6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten?
(6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten has a molecular weight of 399.90 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten is sourced from PubChem (CID 157026840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).