ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate

C15H23N3O4 — CID 67159419

IUPACditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(NN)c1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O4/c1-14(2,3)21-12(19)9-7-8-17-11(18-16)10(9)13(20)22-15(4,5)6/h7-8H,16H2,1-6H3,(H,17,18)
InChIKeyGWULNEDBVQYFHK-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.28
Rot. Bonds3

About ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate

ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate (PubChem CID 67159419) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate
PubChem CID67159419
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nameditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(NN)c1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O4/c1-14(2,3)21-12(19)9-7-8-17-11(18-16)10(9)13(20)22-15(4,5)6/h7-8H,16H2,1-6H3,(H,17,18)
InChIKeyGWULNEDBVQYFHK-UHFFFAOYSA-N
XLogP2.28
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 56923796
tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate
CID 174830370
tert-butyl 2-bromo-4-chloropyridine-3-carboxylate
CID 166524653
tert-butyl 2-amino-4-iodopyridine-3-carboxylate
CID 154073429
tert-butyl 4-amino-2-fluoropyridine-3-carboxylate
CID 133062943
tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate
CID 134176349
[2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid
CID 175662927
3-hydrazinyl-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 86708865
2,3-bis[(2-methylpropan-2-yl)oxycarbonyl]benzenesulfonic acid
CID 140519484
tert-butyl 2-amino-4-cyanopyridine-3-carboxylate
CID 57364515
tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
CID 46318089
tert-butyl 6-oxo-1H-pyridazine-5-carboxylate
CID 123317525

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate?
The IUPAC name of ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate (CID 67159419) is ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate.
What is the SMILES notation for ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate?
The canonical SMILES for ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate is CC(C)(C)OC(=O)c1ccnc(NN)c1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate?
The InChIKey is GWULNEDBVQYFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-14(2,3)21-12(19)9-7-8-17-11(18-16)10(9)13(20)22-15(4,5)6/h7-8H,16H2,1-6H3,(H,17,18).
What are the key properties of ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate?
ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate has a molecular weight of 309.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate is sourced from PubChem (CID 67159419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).