4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate

C10H14N3O3- — CID 7150253

IUPAC4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate
SMILESCc1cc(NN)cc(=O)n1CCCC(=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-7-5-8(12-11)6-9(14)13(7)4-2-3-10(15)16/h5-6,12H,2-4,11H2,1H3,(H,15,16)/p-1
InChIKeyKCFFOBVCKQRENL-UHFFFAOYSA-M
MW224.24 g/mol
LogP-1.03
Rot. Bonds5

About 4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate

4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate (PubChem CID 7150253) has the molecular formula C10H14N3O3- and a molecular weight of 224.24 g/mol. Its IUPAC name is 4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate.

Molecular Properties

Compound Name4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate
PubChem CID7150253
Molecular FormulaC10H14N3O3-
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate
SMILESCc1cc(NN)cc(=O)n1CCCC(=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-7-5-8(12-11)6-9(14)13(7)4-2-3-10(15)16/h5-6,12H,2-4,11H2,1H3,(H,15,16)/p-1
InChIKeyKCFFOBVCKQRENL-UHFFFAOYSA-M
XLogP-1.03
TPSA100.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 4173479
CID 4173479
CID 63579589
CID 63579589

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate?
The IUPAC name of 4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate (CID 7150253) is 4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate.
What is the SMILES notation for 4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate?
The canonical SMILES for 4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate is Cc1cc(NN)cc(=O)n1CCCC(=O)[O-].
What is the InChIKey of 4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate?
The InChIKey is KCFFOBVCKQRENL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15N3O3/c1-7-5-8(12-11)6-9(14)13(7)4-2-3-10(15)16/h5-6,12H,2-4,11H2,1H3,(H,15,16)/p-1.
What are the key properties of 4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate?
4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate has a molecular weight of 224.24 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinyl-2-methyl-6-oxo-1-pyridinyl)butanoate is sourced from PubChem (CID 7150253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).