N'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride

C13H14ClN3O — CID 13133475

IUPACN'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride
SMILESO=C(C[n+]1ccccc1)NNc1ccccc1.[Cl-]
InChIInChI=1S/C13H13N3O.ClH/c17-13(11-16-9-5-2-6-10-16)15-14-12-7-3-1-4-8-12;/h1-10,14H,11H2;1H
InChIKeyDYHJQKLEHTVIRI-UHFFFAOYSA-N
MW263.73 g/mol
LogP-1.88
Rot. Bonds4

About N'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride

N'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride (PubChem CID 13133475) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride.

Molecular Properties

Compound NameN'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride
PubChem CID13133475
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride
SMILESO=C(C[n+]1ccccc1)NNc1ccccc1.[Cl-]
InChIInChI=1S/C13H13N3O.ClH/c17-13(11-16-9-5-2-6-10-16)15-14-12-7-3-1-4-8-12;/h1-10,14H,11H2;1H
InChIKeyDYHJQKLEHTVIRI-UHFFFAOYSA-N
XLogP-1.88
TPSA45.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride?
The IUPAC name of N'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride (CID 13133475) is N'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride.
What is the SMILES notation for N'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride?
The canonical SMILES for N'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride is O=C(C[n+]1ccccc1)NNc1ccccc1.[Cl-].
What is the InChIKey of N'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride?
The InChIKey is DYHJQKLEHTVIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.ClH/c17-13(11-16-9-5-2-6-10-16)15-14-12-7-3-1-4-8-12;/h1-10,14H,11H2;1H.
What are the key properties of N'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride?
N'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride has a molecular weight of 263.73 g/mol, XLogP of -1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-2-pyridin-1-ium-1-ylacetohydrazide chloride is sourced from PubChem (CID 13133475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).