2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine

C13H12BrFN2O — CID 178072988

IUPAC2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine
SMILESCC(C)Oc1cc(F)ccc1-c1cnc(Br)cn1
InChIInChI=1S/C13H12BrFN2O/c1-8(2)18-12-5-9(15)3-4-10(12)11-6-17-13(14)7-16-11/h3-8H,1-2H3
InChIKeyIIKBCIMMOSYYIY-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.83
Rot. Bonds3

About 2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine

2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine (PubChem CID 178072988) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine.

Molecular Properties

Compound Name2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine
PubChem CID178072988
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine
SMILESCC(C)Oc1cc(F)ccc1-c1cnc(Br)cn1
InChIInChI=1S/C13H12BrFN2O/c1-8(2)18-12-5-9(15)3-4-10(12)11-6-17-13(14)7-16-11/h3-8H,1-2H3
InChIKeyIIKBCIMMOSYYIY-UHFFFAOYSA-N
XLogP3.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate
CID 178073337
2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073304
2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073480
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine
CID 178073277
2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine
CID 178073316
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
CID 78935870
4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene
CID 165354855
3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine
CID 178072918
4-(4-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 177183935
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine?
The IUPAC name of 2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine (CID 178072988) is 2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine.
What is the SMILES notation for 2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine?
The canonical SMILES for 2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine is CC(C)Oc1cc(F)ccc1-c1cnc(Br)cn1.
What is the InChIKey of 2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine?
The InChIKey is IIKBCIMMOSYYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-8(2)18-12-5-9(15)3-4-10(12)11-6-17-13(14)7-16-11/h3-8H,1-2H3.
What are the key properties of 2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine?
2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine has a molecular weight of 311.15 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine is sourced from PubChem (CID 178072988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).