2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine

C14H12BrN3O — CID 91800853

IUPAC2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine
SMILESCOc1ccc(Cn2ccc3nc(Br)cnc32)cc1
InChIInChI=1S/C14H12BrN3O/c1-19-11-4-2-10(3-5-11)9-18-7-6-12-14(18)16-8-13(15)17-12/h2-8H,9H2,1H3
InChIKeyDFDZCGFENWVVHO-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.25
Rot. Bonds3

About 2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine

2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine (PubChem CID 91800853) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine
PubChem CID91800853
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine
SMILESCOc1ccc(Cn2ccc3nc(Br)cnc32)cc1
InChIInChI=1S/C14H12BrN3O/c1-19-11-4-2-10(3-5-11)9-18-7-6-12-14(18)16-8-13(15)17-12/h2-8H,9H2,1H3
InChIKeyDFDZCGFENWVVHO-UHFFFAOYSA-N
XLogP3.25
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine (CID 91800853) is 2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine is COc1ccc(Cn2ccc3nc(Br)cnc32)cc1.
What is the InChIKey of 2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine?
The InChIKey is DFDZCGFENWVVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-19-11-4-2-10(3-5-11)9-18-7-6-12-14(18)16-8-13(15)17-12/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine?
2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine has a molecular weight of 318.17 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 91800853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).