(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone

C13H11BrN2O2 — CID 115797185

IUPAC(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H11BrN2O2/c1-8-5-9(7-10(14)6-8)12(17)11-13(18-2)16-4-3-15-11/h3-7H,1-2H3
InChIKeyPVRYTDAVBZHMEZ-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.79
Rot. Bonds3

About (3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone

(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone (PubChem CID 115797185) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
PubChem CID115797185
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H11BrN2O2/c1-8-5-9(7-10(14)6-8)12(17)11-13(18-2)16-4-3-15-11/h3-7H,1-2H3
InChIKeyPVRYTDAVBZHMEZ-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

(3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 113421493
(4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797103
(3-methoxypyrazin-2-yl)-(5-methylfuran-3-yl)methanone
CID 115797106
(2-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797057
(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797276
(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514841
(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104851039
(3-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514846
(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 104850995
(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797027
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 105126859
3-methoxypyrazine-2-carboxylic acid
CID 22395692

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of (3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone (CID 115797185) is (3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for (3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone is COc1nccnc1C(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is PVRYTDAVBZHMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-8-5-9(7-10(14)6-8)12(17)11-13(18-2)16-4-3-15-11/h3-7H,1-2H3.
What are the key properties of (3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone?
(3-bromo-5-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 (3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 115797185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).