2-(2-bromophenoxy)-1-pyridin-2-ylethanone

C13H10BrNO2 — CID 57391520

IUPAC2-(2-bromophenoxy)-1-pyridin-2-ylethanone
SMILESO=C(COc1ccccc1Br)c1ccccn1
InChIInChI=1S/C13H10BrNO2/c14-10-5-1-2-7-13(10)17-9-12(16)11-6-3-4-8-15-11/h1-8H,9H2
InChIKeyCYLDZWCKBLDHCY-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.11
Rot. Bonds4

About 2-(2-bromophenoxy)-1-pyridin-2-ylethanone

2-(2-bromophenoxy)-1-pyridin-2-ylethanone (PubChem CID 57391520) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-pyridin-2-ylethanone
PubChem CID57391520
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name2-(2-bromophenoxy)-1-pyridin-2-ylethanone
SMILESO=C(COc1ccccc1Br)c1ccccn1
InChIInChI=1S/C13H10BrNO2/c14-10-5-1-2-7-13(10)17-9-12(16)11-6-3-4-8-15-11/h1-8H,9H2
InChIKeyCYLDZWCKBLDHCY-UHFFFAOYSA-N
XLogP3.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-pyridin-2-ylethanone?
The IUPAC name of 2-(2-bromophenoxy)-1-pyridin-2-ylethanone (CID 57391520) is 2-(2-bromophenoxy)-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-(2-bromophenoxy)-1-pyridin-2-ylethanone?
The canonical SMILES for 2-(2-bromophenoxy)-1-pyridin-2-ylethanone is O=C(COc1ccccc1Br)c1ccccn1.
What is the InChIKey of 2-(2-bromophenoxy)-1-pyridin-2-ylethanone?
The InChIKey is CYLDZWCKBLDHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c14-10-5-1-2-7-13(10)17-9-12(16)11-6-3-4-8-15-11/h1-8H,9H2.
What are the key properties of 2-(2-bromophenoxy)-1-pyridin-2-ylethanone?
2-(2-bromophenoxy)-1-pyridin-2-ylethanone has a molecular weight of 292.13 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-pyridin-2-ylethanone is sourced from PubChem (CID 57391520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).