2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine

C12H10BrClN2O — CID 82831567

IUPAC2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine
SMILESClCc1cncc(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C12H10BrClN2O/c13-10-3-1-9(2-4-10)8-17-12-7-15-6-11(5-14)16-12/h1-4,6-7H,5,8H2
InChIKeyAUQBDMJNRIFNRM-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.56
Rot. Bonds4

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

2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine (PubChem CID 82831567) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine
PubChem CID82831567
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine
SMILESClCc1cncc(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C12H10BrClN2O/c13-10-3-1-9(2-4-10)8-17-12-7-15-6-11(5-14)16-12/h1-4,6-7H,5,8H2
InChIKeyAUQBDMJNRIFNRM-UHFFFAOYSA-N
XLogP3.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 82807751
[6-[(4-chlorophenyl)methoxy]pyrazin-2-yl]methanol
CID 66465273
methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate
CID 82827835
[6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]methanamine
CID 66449624
2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine
CID 66468694
[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine
CID 82828118
2-bromo-6-[(4-bromophenyl)methoxy]pyridine
CID 82824913
N-[[6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 66449623
2-(chloromethyl)-6-phenylmethoxypyridine
CID 21193174
4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine
CID 82824807
2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451944
4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine
CID 82824581

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine (CID 82831567) is 2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine is ClCc1cncc(OCc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine?
The InChIKey is AUQBDMJNRIFNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c13-10-3-1-9(2-4-10)8-17-12-7-15-6-11(5-14)16-12/h1-4,6-7H,5,8H2.
What are the key properties of 2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine?
2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine has a molecular weight of 313.58 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine is sourced from PubChem (CID 82831567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).