4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid

C15H13NO4 — CID 121004909

IUPAC4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid
SMILESO=C(Cc1ccc(C(=O)O)cc1)OCc1cccnc1
InChIInChI=1S/C15H13NO4/c17-14(20-10-12-2-1-7-16-9-12)8-11-3-5-13(6-4-11)15(18)19/h1-7,9H,8,10H2,(H,18,19)
InChIKeyUGNKUXGSWQSWHK-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.07
Rot. Bonds5

About 4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid

4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid (PubChem CID 121004909) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid
PubChem CID121004909
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid
SMILESO=C(Cc1ccc(C(=O)O)cc1)OCc1cccnc1
InChIInChI=1S/C15H13NO4/c17-14(20-10-12-2-1-7-16-9-12)8-11-3-5-13(6-4-11)15(18)19/h1-7,9H,8,10H2,(H,18,19)
InChIKeyUGNKUXGSWQSWHK-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate
CID 141114966
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
[4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate
CID 167943972
benzyl 2-(4-acetylphenyl)acetate
CID 121231799
6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid
CID 83214712
pyridin-3-ylmethyl 4-methylpentanoate
CID 14009314
pyridin-3-ylmethyl 18-fluorooctadecanoate
CID 91704219
4-iodo-3-(pyridin-3-ylmethoxy)benzoic acid
CID 114103651
pyridin-3-ylmethyl hexatetracontanoate
CID 102180878
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588
(E)-but-2-enedioic acid;pyridin-3-ylmethyl pyridine-3-carboxylate
CID 53249666
pyridin-3-ylmethyl 2-propylpentanoate
CID 10243172

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid?
The IUPAC name of 4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid (CID 121004909) is 4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid?
The canonical SMILES for 4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid is O=C(Cc1ccc(C(=O)O)cc1)OCc1cccnc1.
What is the InChIKey of 4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid?
The InChIKey is UGNKUXGSWQSWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-14(20-10-12-2-1-7-16-9-12)8-11-3-5-13(6-4-11)15(18)19/h1-7,9H,8,10H2,(H,18,19).
What are the key properties of 4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid?
4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid is sourced from PubChem (CID 121004909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).