3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid

C14H13N3O4 — CID 43310184

IUPAC3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid
SMILESO=C(COc1cccc(C(=O)O)c1)NNc1ccccn1
InChIInChI=1S/C14H13N3O4/c18-13(17-16-12-6-1-2-7-15-12)9-21-11-5-3-4-10(8-11)14(19)20/h1-8H,9H2,(H,15,16)(H,17,18)(H,19,20)
InChIKeyPSJLFEOHDPAQSW-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.30
Rot. Bonds6

About 3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid

3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid (PubChem CID 43310184) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid
PubChem CID43310184
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid
SMILESO=C(COc1cccc(C(=O)O)c1)NNc1ccccn1
InChIInChI=1S/C14H13N3O4/c18-13(17-16-12-6-1-2-7-15-12)9-21-11-5-3-4-10(8-11)14(19)20/h1-8H,9H2,(H,15,16)(H,17,18)(H,19,20)
InChIKeyPSJLFEOHDPAQSW-UHFFFAOYSA-N
XLogP1.30
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid
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3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzoic acid
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3-[2-(2-iodoanilino)-2-oxoethoxy]benzoic acid
CID 43215098
3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214257
benzene-1,3-dicarboxylic acid;N-methylpyridin-2-amine;hydrochloride
CID 174581596
3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 900818
3-[2-(pyrimidin-2-ylamino)ethoxy]benzoic acid
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3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 43214241

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid?
The IUPAC name of 3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid (CID 43310184) is 3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid.
What is the SMILES notation for 3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid?
The canonical SMILES for 3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid is O=C(COc1cccc(C(=O)O)c1)NNc1ccccn1.
What is the InChIKey of 3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid?
The InChIKey is PSJLFEOHDPAQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-13(17-16-12-6-1-2-7-15-12)9-21-11-5-3-4-10(8-11)14(19)20/h1-8H,9H2,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid?
3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid has a molecular weight of 287.28 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid is sourced from PubChem (CID 43310184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).