2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine

C13H12BrClN2O — CID 82824481

IUPAC2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine
SMILESCc1nc(Cl)c(OCc2cccc(Br)c2)nc1C
InChIInChI=1S/C13H12BrClN2O/c1-8-9(2)17-13(12(15)16-8)18-7-10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3
InChIKeyZCBVDAFCEDRWTB-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.09
Rot. Bonds3

About 2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine

2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine (PubChem CID 82824481) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine
PubChem CID82824481
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine
SMILESCc1nc(Cl)c(OCc2cccc(Br)c2)nc1C
InChIInChI=1S/C13H12BrClN2O/c1-8-9(2)17-13(12(15)16-8)18-7-10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3
InChIKeyZCBVDAFCEDRWTB-UHFFFAOYSA-N
XLogP4.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 82824304
6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine
CID 82831791
[2-[(3-bromophenyl)methoxy]-4-methyl-3-pyridinyl]methanamine
CID 82827715
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine
CID 82823985
[6-[(3-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methanol
CID 82832022
2-[(3-bromophenyl)methoxy]-4-(chloromethyl)-6-methylpyrimidine
CID 114220097
6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 82807711
[6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 82825316
6-[(3-bromophenyl)methoxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 82804375
6-[(3-bromophenyl)methoxy]-2-methoxypyridin-3-amine
CID 82827567

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine (CID 82824481) is 2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine is Cc1nc(Cl)c(OCc2cccc(Br)c2)nc1C.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine?
The InChIKey is ZCBVDAFCEDRWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-8-9(2)17-13(12(15)16-8)18-7-10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine?
2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine has a molecular weight of 327.61 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine is sourced from PubChem (CID 82824481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).