2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid

C11H15N3O4 — CID 46835325

IUPAC2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)c1ccc(C(=O)O)c(NN)n1
InChIInChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)7-5-4-6(9(15)16)8(13-7)14-12/h4-5H,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyVLJFDOCOXXUGTL-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.02
Rot. Bonds3

About 2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid

2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid (PubChem CID 46835325) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
PubChem CID46835325
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)c1ccc(C(=O)O)c(NN)n1
InChIInChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)7-5-4-6(9(15)16)8(13-7)14-12/h4-5H,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyVLJFDOCOXXUGTL-UHFFFAOYSA-N
XLogP1.02
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.02
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid (CID 46835325) is 2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)c1ccc(C(=O)O)c(NN)n1.
What is the InChIKey of 2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid?
The InChIKey is VLJFDOCOXXUGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)7-5-4-6(9(15)16)8(13-7)14-12/h4-5H,12H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid?
2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 46835325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).