Picolinic acid, 2-benzylhydrazide

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Basic information

CAS: 13045-62-0
Standard SMILES: O=C(NNCc1ccccc1)c1ccccn1
InChIKey: MAUBFEHMBSQXMM-UHFFFAOYSA-N
Molecular formula: C13H13N3O
Average molar mass: 227.26 g/mol
Monoisotopic mass: 227.10586205

Names & identifiers

Preferred name: Picolinic acid, 2-benzylhydrazide
IUPAC: N'-benzylpyridine-2-carbohydrazide

Names & synonyms

Picolinic acid, 2-benzylhydrazide13045-62-0MXN26J895JNSC-37894NSC-169890RefChem:1095590n'-benzylpyridine-2-carbohydrazideHydrazine, 2-benzyl-1-picolinoyl-Ro 5-0700Hydrazine, 1-benzyl-2-(2-pyridyl)carbonyl-MLS002608063NSC37894

Show more names

NSC 37894NSC 169890BRN 0479788UNII-MXN26J895J2-Pyridinecarboxylicacid, 2-(phenylmethyl)hydrazideCHEMBL1736959DTXSID70926743MAUBFEHMBSQXMM-UHFFFAOYSA-N

Database identifiers

CAS: 13045-62-0
PubChem CID: 73101
DTXSID: DTXSID70926743
ChEMBL: CHEMBL1736959
UNII: MXN26J895J
Nikkaji: J36.947K

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 54 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 239

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Compound notes

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