(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone

C13H11BrN2O2 — CID 115797276

IUPAC(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1ccc(Br)cc1C
InChIInChI=1S/C13H11BrN2O2/c1-8-7-9(14)3-4-10(8)12(17)11-13(18-2)16-6-5-15-11/h3-7H,1-2H3
InChIKeyAROHWLKDFQWLRT-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.79
Rot. Bonds3

About (4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone

(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone (PubChem CID 115797276) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
PubChem CID115797276
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1ccc(Br)cc1C
InChIInChI=1S/C13H11BrN2O2/c1-8-7-9(14)3-4-10(8)12(17)11-13(18-2)16-6-5-15-11/h3-7H,1-2H3
InChIKeyAROHWLKDFQWLRT-UHFFFAOYSA-N
XLogP2.79
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797057
(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797185
(2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797174
(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514841
(3-methoxypyrazin-2-yl)-(3-methylfuran-2-yl)methanone
CID 104799708
(4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone
CID 18405006
(2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
CID 103083606
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(3-methoxypyrazin-2-yl)-(5-methylfuran-3-yl)methanone
CID 115797106
(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809747
(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797027

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone (CID 115797276) is (4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone is COc1nccnc1C(=O)c1ccc(Br)cc1C.
What is the InChIKey of (4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is AROHWLKDFQWLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-8-7-9(14)3-4-10(8)12(17)11-13(18-2)16-6-5-15-11/h3-7H,1-2H3.
What are the key properties of (4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone?
(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 307.15 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 115797276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).