1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone

C14H13BrN2O2 — CID 116602703

IUPAC1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone
SMILESCOc1ccc(N)c(C(=O)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C14H13BrN2O2/c1-19-11-4-5-13(16)12(7-11)14(18)6-10-3-2-9(15)8-17-10/h2-5,7-8H,6,16H2,1H3
InChIKeyRYTKGFNWSZGRNU-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone

1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone (PubChem CID 116602703) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone
PubChem CID116602703
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone
SMILESCOc1ccc(N)c(C(=O)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C14H13BrN2O2/c1-19-11-4-5-13(16)12(7-11)14(18)6-10-3-2-9(15)8-17-10/h2-5,7-8H,6,16H2,1H3
InChIKeyRYTKGFNWSZGRNU-UHFFFAOYSA-N
XLogP2.86
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone
CID 115801115
2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
CID 104795960
1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone
CID 104799005
2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 115800936
1-(2-amino-5-methoxyphenyl)-3-methylbutan-1-one
CID 83987880
1-(2-amino-5-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602678
1-(3-amino-4-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116552353
1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116602675
2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115800924
2-(5-bromo-2-pyridinyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanone
CID 114255296
2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone
CID 104798897
(5-bromo-2-pyridinyl)methyl 2-amino-5-methylbenzoate
CID 115622519

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone?
The IUPAC name of 1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone (CID 116602703) is 1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone?
The canonical SMILES for 1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone is COc1ccc(N)c(C(=O)Cc2ccc(Br)cn2)c1.
What is the InChIKey of 1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone?
The InChIKey is RYTKGFNWSZGRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-11-4-5-13(16)12(7-11)14(18)6-10-3-2-9(15)8-17-10/h2-5,7-8H,6,16H2,1H3.
What are the key properties of 1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone?
1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone has a molecular weight of 321.17 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone is sourced from PubChem (CID 116602703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).