methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate

C13H13BrN4O — CID 89191388

IUPACmethyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate
SMILES[H]/N=C(\N=C(/OC)C1CC1)c1cnc2ccc(Br)cn12
InChIInChI=1S/C13H13BrN4O/c1-19-13(8-2-3-8)17-12(15)10-6-16-11-5-4-9(14)7-18(10)11/h4-8,15H,2-3H2,1H3/b15-12-,17-13-
InChIKeySJKIMZOCYPGMRV-OKBBDPFXSA-N
MW321.18 g/mol
LogP2.88
Rot. Bonds2

About methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate

methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate (PubChem CID 89191388) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate.

Molecular Properties

Compound Namemethyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate
PubChem CID89191388
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Namemethyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate
SMILES[H]/N=C(\N=C(/OC)C1CC1)c1cnc2ccc(Br)cn12
InChIInChI=1S/C13H13BrN4O/c1-19-13(8-2-3-8)17-12(15)10-6-16-11-5-4-9(14)7-18(10)11/h4-8,15H,2-3H2,1H3/b15-12-,17-13-
InChIKeySJKIMZOCYPGMRV-OKBBDPFXSA-N
XLogP2.88
TPSA62.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate?
The IUPAC name of methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate (CID 89191388) is methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate.
What is the SMILES notation for methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate?
The canonical SMILES for methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate is [H]/N=C(\N=C(/OC)C1CC1)c1cnc2ccc(Br)cn12.
What is the InChIKey of methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate?
The InChIKey is SJKIMZOCYPGMRV-OKBBDPFXSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-19-13(8-2-3-8)17-12(15)10-6-16-11-5-4-9(14)7-18(10)11/h4-8,15H,2-3H2,1H3/b15-12-,17-13-.
What are the key properties of methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate?
methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate has a molecular weight of 321.18 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate is sourced from PubChem (CID 89191388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).