3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile

C13H12N4O — CID 79234453

IUPAC3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2cccc(NN)n2)c1
InChIInChI=1S/C13H12N4O/c14-8-10-3-1-5-12(7-10)18-9-11-4-2-6-13(16-11)17-15/h1-7H,9,15H2,(H,16,17)
InChIKeyIPPFKQRYMAYSFD-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.82
Rot. Bonds4

About 3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile

3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile (PubChem CID 79234453) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile
PubChem CID79234453
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2cccc(NN)n2)c1
InChIInChI=1S/C13H12N4O/c14-8-10-3-1-5-12(7-10)18-9-11-4-2-6-13(16-11)17-15/h1-7H,9,15H2,(H,16,17)
InChIKeyIPPFKQRYMAYSFD-UHFFFAOYSA-N
XLogP1.82
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
CID 79240035
[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79230468
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine
CID 79232593
[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 83140991
[6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79232634
3-[[(6-hydrazinyl-2-pyridinyl)methyl-methylamino]methyl]benzonitrile
CID 79232014
4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660580
4-[(6-amino-2-pyridinyl)methoxy]benzonitrile
CID 79239436
[6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79231511
[6-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 103290222
[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79233690

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile?
The IUPAC name of 3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile (CID 79234453) is 3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile.
What is the SMILES notation for 3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile?
The canonical SMILES for 3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile is N#Cc1cccc(OCc2cccc(NN)n2)c1.
What is the InChIKey of 3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile?
The InChIKey is IPPFKQRYMAYSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-8-10-3-1-5-12(7-10)18-9-11-4-2-6-13(16-11)17-15/h1-7H,9,15H2,(H,16,17).
What are the key properties of 3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile?
3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile has a molecular weight of 240.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile is sourced from PubChem (CID 79234453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).