7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C12H12BrClN4 — CID 63024548

IUPAC7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESClCc1cc(Br)cnc1N1CCn2ccnc2C1
InChIInChI=1S/C12H12BrClN4/c13-10-5-9(6-14)12(16-7-10)18-4-3-17-2-1-15-11(17)8-18/h1-2,5,7H,3-4,6,8H2
InChIKeyYLEPJADWVGZYNN-UHFFFAOYSA-N
MW327.61 g/mol
LogP2.80
Rot. Bonds2

About 7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 63024548) has the molecular formula C12H12BrClN4 and a molecular weight of 327.61 g/mol. Its IUPAC name is 7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID63024548
Molecular FormulaC12H12BrClN4
Molecular Weight327.61 g/mol
Exact Mass325.99
IUPAC Name7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESClCc1cc(Br)cnc1N1CCn2ccnc2C1
InChIInChI=1S/C12H12BrClN4/c13-10-5-9(6-14)12(16-7-10)18-4-3-17-2-1-15-11(17)8-18/h1-2,5,7H,3-4,6,8H2
InChIKeyYLEPJADWVGZYNN-UHFFFAOYSA-N
XLogP2.80
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 63024548) is 7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is ClCc1cc(Br)cnc1N1CCn2ccnc2C1.
What is the InChIKey of 7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is YLEPJADWVGZYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4/c13-10-5-9(6-14)12(16-7-10)18-4-3-17-2-1-15-11(17)8-18/h1-2,5,7H,3-4,6,8H2.
What are the key properties of 7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 327.61 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 63024548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).