N,N'-bis(5-bromo-2-pyridinyl)methanimidamide

C11H8Br2N4 — CID 4711711

IUPACN,N'-bis(5-bromo-2-pyridinyl)methanimidamide
SMILESBrc1ccc(/N=C/Nc2ccc(Br)cn2)nc1
InChIInChI=1S/C11H8Br2N4/c12-8-1-3-10(14-5-8)16-7-17-11-4-2-9(13)6-15-11/h1-7H,(H,14,15,16,17)
InChIKeyHEEUYSCBZXBCFP-UHFFFAOYSA-N
MW356.02 g/mol
LogP3.77
Rot. Bonds3

About N,N'-bis(5-bromo-2-pyridinyl)methanimidamide

N,N'-bis(5-bromo-2-pyridinyl)methanimidamide (PubChem CID 4711711) has the molecular formula C11H8Br2N4 and a molecular weight of 356.02 g/mol. Its IUPAC name is N,N'-bis(5-bromo-2-pyridinyl)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(5-bromo-2-pyridinyl)methanimidamide
PubChem CID4711711
Molecular FormulaC11H8Br2N4
Molecular Weight356.02 g/mol
Exact Mass353.91
IUPAC NameN,N'-bis(5-bromo-2-pyridinyl)methanimidamide
SMILESBrc1ccc(/N=C/Nc2ccc(Br)cn2)nc1
InChIInChI=1S/C11H8Br2N4/c12-8-1-3-10(14-5-8)16-7-17-11-4-2-9(13)6-15-11/h1-7H,(H,14,15,16,17)
InChIKeyHEEUYSCBZXBCFP-UHFFFAOYSA-N
XLogP3.77
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.02
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-bromo-2-pyridinyl)methanimidamide?
The IUPAC name of N,N'-bis(5-bromo-2-pyridinyl)methanimidamide (CID 4711711) is N,N'-bis(5-bromo-2-pyridinyl)methanimidamide.
What is the SMILES notation for N,N'-bis(5-bromo-2-pyridinyl)methanimidamide?
The canonical SMILES for N,N'-bis(5-bromo-2-pyridinyl)methanimidamide is Brc1ccc(/N=C/Nc2ccc(Br)cn2)nc1.
What is the InChIKey of N,N'-bis(5-bromo-2-pyridinyl)methanimidamide?
The InChIKey is HEEUYSCBZXBCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N4/c12-8-1-3-10(14-5-8)16-7-17-11-4-2-9(13)6-15-11/h1-7H,(H,14,15,16,17).
What are the key properties of N,N'-bis(5-bromo-2-pyridinyl)methanimidamide?
N,N'-bis(5-bromo-2-pyridinyl)methanimidamide has a molecular weight of 356.02 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-bromo-2-pyridinyl)methanimidamide is sourced from PubChem (CID 4711711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).