2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid

C14H13NO4 — CID 22050404

IUPAC2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid
SMILESO=C(O)Cn1ccc(OCc2ccccc2)cc1=O
InChIInChI=1S/C14H13NO4/c16-13-8-12(6-7-15(13)9-14(17)18)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)
InChIKeyMQKHWXDYRPRSLQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.51
Rot. Bonds5

About 2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid

2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid (PubChem CID 22050404) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid
PubChem CID22050404
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid
SMILESO=C(O)Cn1ccc(OCc2ccccc2)cc1=O
InChIInChI=1S/C14H13NO4/c16-13-8-12(6-7-15(13)9-14(17)18)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)
InChIKeyMQKHWXDYRPRSLQ-UHFFFAOYSA-N
XLogP1.51
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid?
The IUPAC name of 2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid (CID 22050404) is 2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid is O=C(O)Cn1ccc(OCc2ccccc2)cc1=O.
What is the InChIKey of 2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid?
The InChIKey is MQKHWXDYRPRSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-13-8-12(6-7-15(13)9-14(17)18)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18).
What are the key properties of 2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid?
2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid has a molecular weight of 259.26 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-phenylmethoxy-1-pyridinyl)acetic acid is sourced from PubChem (CID 22050404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).