2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone

C14H12BrNO2 — CID 112693818

IUPAC2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cncc(Br)c2)cc1
InChIInChI=1S/C14H12BrNO2/c1-18-13-4-2-11(3-5-13)14(17)7-10-6-12(15)9-16-8-10/h2-6,8-9H,7H2,1H3
InChIKeyXPPIOBXDLCHVPF-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.28
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone

2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone (PubChem CID 112693818) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
PubChem CID112693818
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cncc(Br)c2)cc1
InChIInChI=1S/C14H12BrNO2/c1-18-13-4-2-11(3-5-13)14(17)7-10-6-12(15)9-16-8-10/h2-6,8-9H,7H2,1H3
InChIKeyXPPIOBXDLCHVPF-UHFFFAOYSA-N
XLogP3.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 104799303
2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone
CID 103373346
2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
CID 105128871
2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone
CID 104798917
2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone
CID 68953241
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
2-(5-bromo-3-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanone
CID 104799338
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116612097
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 142728271

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone (CID 112693818) is 2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2cncc(Br)c2)cc1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is XPPIOBXDLCHVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-18-13-4-2-11(3-5-13)14(17)7-10-6-12(15)9-16-8-10/h2-6,8-9H,7H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone?
2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 306.16 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 112693818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).