2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid

C15H13NO4 — CID 115940898

IUPAC2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid
SMILESCCC(=O)c1ccc(Oc2ccccc2C(=O)O)cn1
InChIInChI=1S/C15H13NO4/c1-2-13(17)12-8-7-10(9-16-12)20-14-6-4-3-5-11(14)15(18)19/h3-9H,2H2,1H3,(H,18,19)
InChIKeyPZVWHPFCSUUSMG-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.16
Rot. Bonds5

About 2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid

2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid (PubChem CID 115940898) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid
PubChem CID115940898
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid
SMILESCCC(=O)c1ccc(Oc2ccccc2C(=O)O)cn1
InChIInChI=1S/C15H13NO4/c1-2-13(17)12-8-7-10(9-16-12)20-14-6-4-3-5-11(14)15(18)19/h3-9H,2H2,1H3,(H,18,19)
InChIKeyPZVWHPFCSUUSMG-UHFFFAOYSA-N
XLogP3.16
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one
CID 115939078
1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one
CID 112583858
1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one
CID 112583808
2-butoxybenzoic acid;carbonic acid
CID 137455653
1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one
CID 116801615
2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]oxy]benzamide
CID 103937678
1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone
CID 83119591
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
2-ethoxybenzoic acid;zinc
CID 172723273
5-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 113321699
1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one
CID 112583933

Frequently Asked Questions

What is the IUPAC name of 2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid?
The IUPAC name of 2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid (CID 115940898) is 2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid is CCC(=O)c1ccc(Oc2ccccc2C(=O)O)cn1.
What is the InChIKey of 2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid?
The InChIKey is PZVWHPFCSUUSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-2-13(17)12-8-7-10(9-16-12)20-14-6-4-3-5-11(14)15(18)19/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid?
2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid has a molecular weight of 271.27 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 115940898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).