(4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone

C12H7BrF2N2O2 — CID 115797103

IUPAC(4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H7BrF2N2O2/c1-19-12-10(16-2-3-17-12)11(18)9-7(14)4-6(13)5-8(9)15/h2-5H,1H3
InChIKeyWFNOZTFISGMMOJ-UHFFFAOYSA-N
MW329.10 g/mol
LogP2.76
Rot. Bonds3

About (4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone

(4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone (PubChem CID 115797103) has the molecular formula C12H7BrF2N2O2 and a molecular weight of 329.10 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
PubChem CID115797103
Molecular FormulaC12H7BrF2N2O2
Molecular Weight329.10 g/mol
Exact Mass327.97
IUPAC Name(4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H7BrF2N2O2/c1-19-12-10(16-2-3-17-12)11(18)9-7(14)4-6(13)5-8(9)15/h2-5H,1H3
InChIKeyWFNOZTFISGMMOJ-UHFFFAOYSA-N
XLogP2.76
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone (CID 115797103) is (4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone is COc1nccnc1C(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is WFNOZTFISGMMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O2/c1-19-12-10(16-2-3-17-12)11(18)9-7(14)4-6(13)5-8(9)15/h2-5H,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone?
(4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 329.10 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 115797103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).