2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine

C12H10BrFN2O — CID 122543842

IUPAC2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine
SMILESCc1nc(Br)c(F)nc1OCc1ccccc1
InChIInChI=1S/C12H10BrFN2O/c1-8-12(16-11(14)10(13)15-8)17-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyPXSFXASBXQRVPL-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.27
Rot. Bonds3

About 2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine

2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine (PubChem CID 122543842) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine.

Molecular Properties

Compound Name2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine
PubChem CID122543842
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine
SMILESCc1nc(Br)c(F)nc1OCc1ccccc1
InChIInChI=1S/C12H10BrFN2O/c1-8-12(16-11(14)10(13)15-8)17-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyPXSFXASBXQRVPL-UHFFFAOYSA-N
XLogP3.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
CID 144823733
2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
CID 169250451
5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine
CID 67127321
2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine
CID 123156862
2-bromo-5-chloro-3-phenylmethoxypyrazine
CID 121218855
3-bromo-6-iodo-2-phenylmethoxypyridine
CID 90076323
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
7-bromo-1-phenylmethoxyisoquinoline
CID 86710700
2-bromo-3-methyl-5-phenylmethoxypyridine
CID 171367579
2-bromo-5-fluoro-3-phenylmethoxypyridine
CID 151293566
3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine
CID 166726090
methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate
CID 67476701

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine?
The IUPAC name of 2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine (CID 122543842) is 2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine.
What is the SMILES notation for 2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine?
The canonical SMILES for 2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine is Cc1nc(Br)c(F)nc1OCc1ccccc1.
What is the InChIKey of 2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine?
The InChIKey is PXSFXASBXQRVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-8-12(16-11(14)10(13)15-8)17-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine?
2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine has a molecular weight of 297.13 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine is sourced from PubChem (CID 122543842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).