1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one

C15H14BrNO2 — CID 104797397

IUPAC1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H14BrNO2/c1-11(18)8-12-2-6-15(7-3-12)19-10-14-5-4-13(16)9-17-14/h2-7,9H,8,10H2,1H3
InChIKeyXHLPEAJDHIXNTB-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.55
Rot. Bonds5

About 1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one

1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one (PubChem CID 104797397) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one
PubChem CID104797397
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H14BrNO2/c1-11(18)8-12-2-6-15(7-3-12)19-10-14-5-4-13(16)9-17-14/h2-7,9H,8,10H2,1H3
InChIKeyXHLPEAJDHIXNTB-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[4-(2-oxopropyl)phenoxy]methyl]pyridine-3-carboxylic acid
CID 115493828
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
CID 104795982
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796088
(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one
CID 115495326
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281
5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine
CID 104809617
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
CID 115495234
4-(5-bromo-2-pyridinyl)butan-2-one
CID 104799733
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one?
The IUPAC name of 1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one (CID 104797397) is 1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one is CC(=O)Cc1ccc(OCc2ccc(Br)cn2)cc1.
What is the InChIKey of 1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one?
The InChIKey is XHLPEAJDHIXNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-11(18)8-12-2-6-15(7-3-12)19-10-14-5-4-13(16)9-17-14/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one?
1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one has a molecular weight of 320.19 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one is sourced from PubChem (CID 104797397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).