2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid

C20H15NO4 — CID 11681522

IUPAC2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid
SMILESCC(=O)c1cccc(-c2ccc(Oc3ncccc3C(=O)O)cc2)c1
InChIInChI=1S/C20H15NO4/c1-13(22)15-4-2-5-16(12-15)14-7-9-17(10-8-14)25-19-18(20(23)24)6-3-11-21-19/h2-12H,1H3,(H,23,24)
InChIKeyBKMDGXOBUUGVTF-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.44
Rot. Bonds5

About 2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid

2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid (PubChem CID 11681522) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid
PubChem CID11681522
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid
SMILESCC(=O)c1cccc(-c2ccc(Oc3ncccc3C(=O)O)cc2)c1
InChIInChI=1S/C20H15NO4/c1-13(22)15-4-2-5-16(12-15)14-7-9-17(10-8-14)25-19-18(20(23)24)6-3-11-21-19/h2-12H,1H3,(H,23,24)
InChIKeyBKMDGXOBUUGVTF-UHFFFAOYSA-N
XLogP4.44
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid (CID 11681522) is 2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid is CC(=O)c1cccc(-c2ccc(Oc3ncccc3C(=O)O)cc2)c1.
What is the InChIKey of 2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid?
The InChIKey is BKMDGXOBUUGVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-13(22)15-4-2-5-16(12-15)14-7-9-17(10-8-14)25-19-18(20(23)24)6-3-11-21-19/h2-12H,1H3,(H,23,24).
What are the key properties of 2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid?
2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 11681522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).