1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone

C13H12N2O2 — CID 18673928

IUPAC1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(N)cn2)cc1
InChIInChI=1S/C13H12N2O2/c1-9(16)10-2-5-12(6-3-10)17-13-7-4-11(14)8-15-13/h2-8H,14H2,1H3
InChIKeyROOGIQFYOPXDIR-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.66
Rot. Bonds3

About 1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone

1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone (PubChem CID 18673928) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
PubChem CID18673928
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(N)cn2)cc1
InChIInChI=1S/C13H12N2O2/c1-9(16)10-2-5-12(6-3-10)17-13-7-4-11(14)8-15-13/h2-8H,14H2,1H3
InChIKeyROOGIQFYOPXDIR-UHFFFAOYSA-N
XLogP2.66
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Related Compounds

6-[4-[(5-amino-2-pyridinyl)oxy]phenoxy]pyridin-3-amine
CID 102449756
1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone
CID 18673901
6-(4-methylphenoxy)pyridin-3-amine
CID 4763818
[4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 50742570
ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone
CID 143530827
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone
CID 134828568
(4-acetylphenyl) 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 27873697
6-(3,4-dimethylphenoxy)pyridin-3-amine
CID 16787193
1-(6-chloro-3-pyridinyl)ethanone;1-(6-phenoxy-3-pyridinyl)ethanone
CID 161154288
6-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 43589800
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone (CID 18673928) is 1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(N)cn2)cc1.
What is the InChIKey of 1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone?
The InChIKey is ROOGIQFYOPXDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9(16)10-2-5-12(6-3-10)17-13-7-4-11(14)8-15-13/h2-8H,14H2,1H3.
What are the key properties of 1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone?
1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone has a molecular weight of 228.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone is sourced from PubChem (CID 18673928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).