1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone

C14H12BrNO3 — CID 113443679

IUPAC1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone
SMILESCOc1ccc(Oc2ccc(C(C)=O)cn2)c(Br)c1
InChIInChI=1S/C14H12BrNO3/c1-9(17)10-3-6-14(16-8-10)19-13-5-4-11(18-2)7-12(13)15/h3-8H,1-2H3
InChIKeyGYSXCQVQSGZKRS-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.85
Rot. Bonds4

About 1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone

1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone (PubChem CID 113443679) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone
PubChem CID113443679
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone
SMILESCOc1ccc(Oc2ccc(C(C)=O)cn2)c(Br)c1
InChIInChI=1S/C14H12BrNO3/c1-9(17)10-3-6-14(16-8-10)19-13-5-4-11(18-2)7-12(13)15/h3-8H,1-2H3
InChIKeyGYSXCQVQSGZKRS-UHFFFAOYSA-N
XLogP3.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone
CID 62909860
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
5-(2-bromo-4-methoxyphenoxy)pyrazin-2-amine
CID 104708756
1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone
CID 134828568
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone
CID 143530827
5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 104707141
2-[(5-bromo-2-pyridinyl)oxy]-4-methoxybenzoic acid
CID 61395986
2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid
CID 104706888
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone
CID 104707843

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone (CID 113443679) is 1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone is COc1ccc(Oc2ccc(C(C)=O)cn2)c(Br)c1.
What is the InChIKey of 1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone?
The InChIKey is GYSXCQVQSGZKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-9(17)10-3-6-14(16-8-10)19-13-5-4-11(18-2)7-12(13)15/h3-8H,1-2H3.
What are the key properties of 1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone?
1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone has a molecular weight of 322.16 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 113443679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).