4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid

C10H10N4O3 — CID 2812084

IUPAC4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid
SMILESN#Cc1cccnc1NNC(=O)CCC(=O)O
InChIInChI=1S/C10H10N4O3/c11-6-7-2-1-5-12-10(7)14-13-8(15)3-4-9(16)17/h1-2,5H,3-4H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyDRXORRQYDIIHTN-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.26
Rot. Bonds5

About 4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid

4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid (PubChem CID 2812084) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid
PubChem CID2812084
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid
SMILESN#Cc1cccnc1NNC(=O)CCC(=O)O
InChIInChI=1S/C10H10N4O3/c11-6-7-2-1-5-12-10(7)14-13-8(15)3-4-9(16)17/h1-2,5H,3-4H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyDRXORRQYDIIHTN-UHFFFAOYSA-N
XLogP0.26
TPSA115.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.26
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid (CID 2812084) is 4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid is N#Cc1cccnc1NNC(=O)CCC(=O)O.
What is the InChIKey of 4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid?
The InChIKey is DRXORRQYDIIHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c11-6-7-2-1-5-12-10(7)14-13-8(15)3-4-9(16)17/h1-2,5H,3-4H2,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid?
4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid has a molecular weight of 234.22 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid is sourced from PubChem (CID 2812084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).