2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one

C14H11N3O2 — CID 54342882

IUPAC2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one
SMILESCC(=[N+]=[N-])C(=O)c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C14H11N3O2/c1-10(17-15)14(18)11-5-7-12(8-6-11)19-13-4-2-3-9-16-13/h2-9H,1H3
InChIKeyUAFNESFRWDTBGQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.75
Rot. Bonds4

About 2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one

2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one (PubChem CID 54342882) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one
PubChem CID54342882
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one
SMILESCC(=[N+]=[N-])C(=O)c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C14H11N3O2/c1-10(17-15)14(18)11-5-7-12(8-6-11)19-13-4-2-3-9-16-13/h2-9H,1H3
InChIKeyUAFNESFRWDTBGQ-UHFFFAOYSA-N
XLogP2.75
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione
CID 67475111
ethane;2-phenoxypyridine
CID 90835857
1-(6-pyridin-2-yloxy-3-pyridinyl)ethanone
CID 58109878
3-methyl-1-(4-pyridin-2-yloxybenzoyl)pyrrolidine-3-carboxylic acid
CID 154845457
(4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate
CID 24656955
N-hydroxyethanimidoyl chloride;2-phenoxypyridine
CID 86612460
(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805310
4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid
CID 143039139
N'-methyl-N-(4-pyridin-2-yloxyphenyl)ethanimidamide
CID 144757273
propyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate
CID 71324755
(4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate
CID 60527723
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335

Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one?
The IUPAC name of 2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one (CID 54342882) is 2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one is CC(=[N+]=[N-])C(=O)c1ccc(Oc2ccccn2)cc1.
What is the InChIKey of 2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one?
The InChIKey is UAFNESFRWDTBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-10(17-15)14(18)11-5-7-12(8-6-11)19-13-4-2-3-9-16-13/h2-9H,1H3.
What are the key properties of 2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one?
2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one has a molecular weight of 253.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 54342882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).