methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate

C13H11BrN2O3 — CID 82827835

IUPACmethyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C13H11BrN2O3/c1-18-13(17)11-6-15-7-12(16-11)19-8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3
InChIKeyFVZJYNLUFJHYNI-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.60
Rot. Bonds4

About methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate

methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate (PubChem CID 82827835) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate
PubChem CID82827835
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Namemethyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C13H11BrN2O3/c1-18-13(17)11-6-15-7-12(16-11)19-8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3
InChIKeyFVZJYNLUFJHYNI-UHFFFAOYSA-N
XLogP2.60
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 4804238
CID 4804238
CID 7760460
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CID 882245
CID 882245
CID 2111673
CID 2111673
CID 465059
CID 465059
CID 64265550
CID 64265550
CID 465458
CID 465458
CID 465459
CID 465459
CID 2407277
CID 2407277
CID 54546430
CID 54546430
CID 68595628
CID 68595628
CID 108254993
CID 108254993

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate (CID 82827835) is methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate is COC(=O)c1cncc(OCc2ccc(Br)cc2)n1.
What is the InChIKey of methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate?
The InChIKey is FVZJYNLUFJHYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-18-13(17)11-6-15-7-12(16-11)19-8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3.
What are the key properties of methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate?
methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate has a molecular weight of 323.15 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate is sourced from PubChem (CID 82827835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).