N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide

C7H9N3O — CID 54404676

IUPACN-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide
SMILESON/C=N/Cc1cccnc1
InChIInChI=1S/C7H9N3O/c11-10-6-9-5-7-2-1-3-8-4-7/h1-4,6,11H,5H2,(H,9,10)
InChIKeyPFBDCEJTCFBHCT-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.59
Rot. Bonds3

About N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide

N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide (PubChem CID 54404676) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide
PubChem CID54404676
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC NameN-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide
SMILESON/C=N/Cc1cccnc1
InChIInChI=1S/C7H9N3O/c11-10-6-9-5-7-2-1-3-8-4-7/h1-4,6,11H,5H2,(H,9,10)
InChIKeyPFBDCEJTCFBHCT-UHFFFAOYSA-N
XLogP0.59
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol
CID 135936172
CID 66868100
CID 66868100
2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol
CID 135869135
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
pyridin-3-ylmethyldiazene
CID 54345031
N'-(pyridin-3-ylmethyl)propanimidamide
CID 63178456
4,6-ditert-butyl-3-(pyridin-3-ylmethyliminomethyl)benzene-1,2-diol
CID 170984159
3-ethylpyridine
CID 10823
bis(pyridin-3-ylmethyl)azanium
CID 6946562
bromomethane;pyridin-3-ylmethanol
CID 158702197
N-iodo-1-pyridin-3-ylmethanamine
CID 89297492
argon;2-pyridin-3-ylethanol
CID 159015973

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide?
The IUPAC name of N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide (CID 54404676) is N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide.
What is the SMILES notation for N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide?
The canonical SMILES for N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide is ON/C=N/Cc1cccnc1.
What is the InChIKey of N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide?
The InChIKey is PFBDCEJTCFBHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-10-6-9-5-7-2-1-3-8-4-7/h1-4,6,11H,5H2,(H,9,10).
What are the key properties of N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide?
N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide has a molecular weight of 151.17 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide is sourced from PubChem (CID 54404676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).