bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+)

C24H20Br2MnN6O2+2 — CID 4014505

IUPACbis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+)
SMILES[Mn+2].[OH2+]c1cc(Br)ccc1C=N[N-]c1ccccn1.[OH2+]c1cc(Br)ccc1C=N[N-]c1ccccn1
InChIInChI=1S/2C12H9BrN3O.Mn/c2*13-10-5-4-9(11(17)7-10)8-15-16-12-3-1-2-6-14-12;/h2*1-8H,(H-,14,15,16,17);/q2*-1;+2/p+2
InChIKeyXQAANWIKIHTTCM-UHFFFAOYSA-P
MW639.21 g/mol
LogP6.64
Rot. Bonds6

About bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+)

bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+) (PubChem CID 4014505) has the molecular formula C24H20Br2MnN6O2+2 and a molecular weight of 639.21 g/mol. Its IUPAC name is bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+).

Molecular Properties

Compound Namebis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+)
PubChem CID4014505
Molecular FormulaC24H20Br2MnN6O2+2
Molecular Weight639.21 g/mol
Exact Mass636.94
IUPAC Namebis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+)
SMILES[Mn+2].[OH2+]c1cc(Br)ccc1C=N[N-]c1ccccn1.[OH2+]c1cc(Br)ccc1C=N[N-]c1ccccn1
InChIInChI=1S/2C12H9BrN3O.Mn/c2*13-10-5-4-9(11(17)7-10)8-15-16-12-3-1-2-6-14-12;/h2*1-8H,(H-,14,15,16,17);/q2*-1;+2/p+2
InChIKeyXQAANWIKIHTTCM-UHFFFAOYSA-P
XLogP6.64
TPSA124.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.21
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+)?
The IUPAC name of bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+) (CID 4014505) is bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+).
What is the SMILES notation for bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+)?
The canonical SMILES for bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+) is [Mn+2].[OH2+]c1cc(Br)ccc1C=N[N-]c1ccccn1.[OH2+]c1cc(Br)ccc1C=N[N-]c1ccccn1.
What is the InChIKey of bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+)?
The InChIKey is XQAANWIKIHTTCM-UHFFFAOYSA-P. The full InChI is InChI=1S/2C12H9BrN3O.Mn/c2*13-10-5-4-9(11(17)7-10)8-15-16-12-3-1-2-6-14-12;/h2*1-8H,(H-,14,15,16,17);/q2*-1;+2/p+2.
What are the key properties of bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+)?
bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+) has a molecular weight of 639.21 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(4-bromo-2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide);manganese(2+) is sourced from PubChem (CID 4014505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).