4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid

C15H13NO4 — CID 158981146

IUPAC4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid
SMILESO=C(Cc1ccnc(C(=O)O)c1)Cc1ccccc1O
InChIInChI=1S/C15H13NO4/c17-12(9-11-3-1-2-4-14(11)18)7-10-5-6-16-13(8-10)15(19)20/h1-6,8,18H,7,9H2,(H,19,20)
InChIKeyJPACQMBQDBPBLY-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.84
Rot. Bonds5

About 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid

4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid (PubChem CID 158981146) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid
PubChem CID158981146
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid
SMILESO=C(Cc1ccnc(C(=O)O)c1)Cc1ccccc1O
InChIInChI=1S/C15H13NO4/c17-12(9-11-3-1-2-4-14(11)18)7-10-5-6-16-13(8-10)15(19)20/h1-6,8,18H,7,9H2,(H,19,20)
InChIKeyJPACQMBQDBPBLY-UHFFFAOYSA-N
XLogP1.84
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid (CID 158981146) is 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid is O=C(Cc1ccnc(C(=O)O)c1)Cc1ccccc1O.
What is the InChIKey of 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid?
The InChIKey is JPACQMBQDBPBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-12(9-11-3-1-2-4-14(11)18)7-10-5-6-16-13(8-10)15(19)20/h1-6,8,18H,7,9H2,(H,19,20).
What are the key properties of 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid?
4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 158981146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).