5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane

C12H18BrN3 — CID 168893784

IUPAC5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane
SMILESC1CCCCC1.[H]/N=C/n1cc(Br)cc/c1=N\[H]
InChIInChI=1S/C6H6BrN3.C6H12/c7-5-1-2-6(9)10(3-5)4-8;1-2-4-6-5-3-1/h1-4,8-9H;1-6H2/b8-4+,9-6+;
InChIKeyNNPXKLCWLCOVCN-HQSPKJHHSA-N
MW284.20 g/mol
LogP3.53
Rot. Bonds1

About 5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane

5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane (PubChem CID 168893784) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane.

Molecular Properties

Compound Name5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane
PubChem CID168893784
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane
SMILESC1CCCCC1.[H]/N=C/n1cc(Br)cc/c1=N\[H]
InChIInChI=1S/C6H6BrN3.C6H12/c7-5-1-2-6(9)10(3-5)4-8;1-2-4-6-5-3-1/h1-4,8-9H;1-6H2/b8-4+,9-6+;
InChIKeyNNPXKLCWLCOVCN-HQSPKJHHSA-N
XLogP3.53
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.53
H-Bond Donors ≤ 52
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-1-methanimidoylpyridin-2-imine;cyclohexane?
The IUPAC name of 5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane (CID 168893784) is 5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane.
What is the SMILES notation for 5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane?
The canonical SMILES for 5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane is C1CCCCC1.[H]/N=C/n1cc(Br)cc/c1=N\[H].
What is the InChIKey of 5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane?
The InChIKey is NNPXKLCWLCOVCN-HQSPKJHHSA-N. The full InChI is InChI=1S/C6H6BrN3.C6H12/c7-5-1-2-6(9)10(3-5)4-8;1-2-4-6-5-3-1/h1-4,8-9H;1-6H2/b8-4+,9-6+;.
What are the key properties of 5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane?
5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane has a molecular weight of 284.20 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methanimidoylpyridin-2-imine;cyclohexane is sourced from PubChem (CID 168893784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).