1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine

C11H13BrN2 — CID 163573149

IUPAC1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine
SMILESCC1(C/N=C/c2ccc(Br)cn2)CC1
InChIInChI=1S/C11H13BrN2/c1-11(4-5-11)8-13-7-10-3-2-9(12)6-14-10/h2-3,6-7H,4-5,8H2,1H3/b13-7+
InChIKeyGBCXTINYJZPUMP-NTUHNPAUSA-N
MW253.14 g/mol
LogP3.06
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine

1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine (PubChem CID 163573149) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine
PubChem CID163573149
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine
SMILESCC1(C/N=C/c2ccc(Br)cn2)CC1
InChIInChI=1S/C11H13BrN2/c1-11(4-5-11)8-13-7-10-3-2-9(12)6-14-10/h2-3,6-7H,4-5,8H2,1H3/b13-7+
InChIKeyGBCXTINYJZPUMP-NTUHNPAUSA-N
XLogP3.06
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine (CID 163573149) is 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine is CC1(C/N=C/c2ccc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine?
The InChIKey is GBCXTINYJZPUMP-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-11(4-5-11)8-13-7-10-3-2-9(12)6-14-10/h2-3,6-7H,4-5,8H2,1H3/b13-7+.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine?
1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine has a molecular weight of 253.14 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]methanimine is sourced from PubChem (CID 163573149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).