2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone

C16H15BrN2O2 — CID 57400157

IUPAC2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(NC2CC2)nc1
InChIInChI=1S/C16H15BrN2O2/c17-13-3-1-2-4-15(13)21-10-14(20)11-5-8-16(18-9-11)19-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,18,19)
InChIKeyPLARIKWIGZHYSK-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.68
Rot. Bonds6

About 2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone

2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone (PubChem CID 57400157) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone
PubChem CID57400157
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(NC2CC2)nc1
InChIInChI=1S/C16H15BrN2O2/c17-13-3-1-2-4-15(13)21-10-14(20)11-5-8-16(18-9-11)19-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,18,19)
InChIKeyPLARIKWIGZHYSK-UHFFFAOYSA-N
XLogP3.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone?
The IUPAC name of 2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone (CID 57400157) is 2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone?
The canonical SMILES for 2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone is O=C(COc1ccccc1Br)c1ccc(NC2CC2)nc1.
What is the InChIKey of 2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone?
The InChIKey is PLARIKWIGZHYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-13-3-1-2-4-15(13)21-10-14(20)11-5-8-16(18-9-11)19-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,18,19).
What are the key properties of 2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone?
2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone has a molecular weight of 347.21 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-[6-(cyclopropylamino)-3-pyridinyl]ethanone is sourced from PubChem (CID 57400157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).