5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide

C12H11BrN4O — CID 82824608

IUPAC5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(OCc2cccc(Br)c2)cn1
InChIInChI=1S/C12H11BrN4O/c13-9-3-1-2-8(4-9)7-18-11-6-16-10(5-17-11)12(14)15/h1-6H,7H2,(H3,14,15)
InChIKeyGUSDBFHUWRHKMY-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.10
Rot. Bonds4

About 5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide

5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide (PubChem CID 82824608) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide
PubChem CID82824608
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(OCc2cccc(Br)c2)cn1
InChIInChI=1S/C12H11BrN4O/c13-9-3-1-2-8(4-9)7-18-11-6-16-10(5-17-11)12(14)15/h1-6H,7H2,(H3,14,15)
InChIKeyGUSDBFHUWRHKMY-UHFFFAOYSA-N
XLogP2.10
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.10
H-Bond Donors ≤ 52
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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Related Compounds

5-[(3-chlorophenyl)methoxy]pyrazine-2-carboximidamide
CID 65126652
5-[(3-bromophenyl)methoxy]pyrazine-2-carbothioamide
CID 82827307
6-[(3-bromophenyl)methoxy]pyridine-3-carboximidamide
CID 82824834
5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazole-4-carboximidamide
CID 82823681
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 82823793
3-[(3-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
CID 82824732
2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine
CID 83270095
4-[(3-bromophenoxy)methyl]benzenecarboximidamide
CID 24705552
3,5-dibromo-4-[(3-carbamimidoylphenyl)methoxy]benzenecarboximidamide
CID 73353685
4-[(3-bromophenoxy)methyl]benzenecarboximidamide;hydrochloride
CID 82253881
6-[(3-bromophenyl)methoxy]pyrimidin-4-amine
CID 82825459
3-[(4-bromo-2-methylphenoxy)methyl]benzenecarboximidamide
CID 63216529

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide?
The IUPAC name of 5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide (CID 82824608) is 5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide.
What is the SMILES notation for 5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide?
The canonical SMILES for 5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide is [H]/N=C(\N)c1cnc(OCc2cccc(Br)c2)cn1.
What is the InChIKey of 5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide?
The InChIKey is GUSDBFHUWRHKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-9-3-1-2-8(4-9)7-18-11-6-16-10(5-17-11)12(14)15/h1-6H,7H2,(H3,14,15).
What are the key properties of 5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide?
5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide has a molecular weight of 307.15 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide is sourced from PubChem (CID 82824608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).