5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide

C12H11BrN4 — CID 86729657

IUPAC5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide
SMILESCc1ccc(/N=C(\N)c2cncc(Br)c2)nc1
InChIInChI=1S/C12H11BrN4/c1-8-2-3-11(16-5-8)17-12(14)9-4-10(13)7-15-6-9/h2-7H,1H3,(H2,14,16,17)
InChIKeyWZMNMOWTWPUENA-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.58
Rot. Bonds2

About 5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide

5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide (PubChem CID 86729657) has the molecular formula C12H11BrN4 and a molecular weight of 291.15 g/mol. Its IUPAC name is 5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide
PubChem CID86729657
Molecular FormulaC12H11BrN4
Molecular Weight291.15 g/mol
Exact Mass290.02
IUPAC Name5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide
SMILESCc1ccc(/N=C(\N)c2cncc(Br)c2)nc1
InChIInChI=1S/C12H11BrN4/c1-8-2-3-11(16-5-8)17-12(14)9-4-10(13)7-15-6-9/h2-7H,1H3,(H2,14,16,17)
InChIKeyWZMNMOWTWPUENA-UHFFFAOYSA-N
XLogP2.58
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.58
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 5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide?
The IUPAC name of 5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide (CID 86729657) is 5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide.
What is the SMILES notation for 5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide?
The canonical SMILES for 5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide is Cc1ccc(/N=C(\N)c2cncc(Br)c2)nc1.
What is the InChIKey of 5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide?
The InChIKey is WZMNMOWTWPUENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4/c1-8-2-3-11(16-5-8)17-12(14)9-4-10(13)7-15-6-9/h2-7H,1H3,(H2,14,16,17).
What are the key properties of 5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide?
5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide has a molecular weight of 291.15 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(5-methyl-2-pyridinyl)pyridine-3-carboximidamide is sourced from PubChem (CID 86729657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).