1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone

C13H10BrNO2 — CID 62908521

IUPAC1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2cccnc2)c(Br)c1
InChIInChI=1S/C13H10BrNO2/c1-9(16)10-4-5-13(12(14)7-10)17-11-3-2-6-15-8-11/h2-8H,1H3
InChIKeyCLCVTJWJCXNTCZ-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.84
Rot. Bonds3

About 1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone

1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone (PubChem CID 62908521) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is 1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone
PubChem CID62908521
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2cccnc2)c(Br)c1
InChIInChI=1S/C13H10BrNO2/c1-9(16)10-4-5-13(12(14)7-10)17-11-3-2-6-15-8-11/h2-8H,1H3
InChIKeyCLCVTJWJCXNTCZ-UHFFFAOYSA-N
XLogP3.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone
CID 55130531
1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone
CID 64600412
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone
CID 62909860
1-[3-bromo-4-(3-fluorophenoxy)phenyl]ethanone
CID 62909024
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
1-[3-bromo-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanone
CID 62910215
3-bromo-4-pyridin-3-yloxypyridine
CID 11779936
(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol
CID 78941748
1-[3-bromo-4-(4-bromo-3-fluorophenoxy)phenyl]ethanone
CID 65201166
(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanamine
CID 55185347
3-[2-bromo-4-(methylsulfonylmethyl)phenoxy]pyridine
CID 139341736
1-[3-bromo-4-(2-chlorophenoxy)phenyl]ethanone
CID 62908154

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone?
The IUPAC name of 1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone (CID 62908521) is 1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone is CC(=O)c1ccc(Oc2cccnc2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone?
The InChIKey is CLCVTJWJCXNTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c1-9(16)10-4-5-13(12(14)7-10)17-11-3-2-6-15-8-11/h2-8H,1H3.
What are the key properties of 1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone?
1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone has a molecular weight of 292.13 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone is sourced from PubChem (CID 62908521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).