copper(1+);3H-pyridin-3-ide

C5H4CuN — CID 59371761

IUPACcopper(1+);3H-pyridin-3-ide
SMILES[Cu+].[c-]1cccnc1
InChIInChI=1S/C5H4N.Cu/c1-2-4-6-5-3-1;/h1-2,4-5H;/q-1;+1
InChIKeyBMVJMRHNIMATLE-UHFFFAOYSA-N
MW141.64 g/mol
LogP0.88
Rot. Bonds

About copper(1+);3H-pyridin-3-ide

copper(1+);3H-pyridin-3-ide (PubChem CID 59371761) has the molecular formula C5H4CuN and a molecular weight of 141.64 g/mol. Its IUPAC name is copper(1+);3H-pyridin-3-ide.

Molecular Properties

Compound Namecopper(1+);3H-pyridin-3-ide
PubChem CID59371761
Molecular FormulaC5H4CuN
Molecular Weight141.64 g/mol
Exact Mass140.96
IUPAC Namecopper(1+);3H-pyridin-3-ide
SMILES[Cu+].[c-]1cccnc1
InChIInChI=1S/C5H4N.Cu/c1-2-4-6-5-3-1;/h1-2,4-5H;/q-1;+1
InChIKeyBMVJMRHNIMATLE-UHFFFAOYSA-N
XLogP0.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.64
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze copper(1+);3H-pyridin-3-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3H-pyridin-3-ide;yttrium
CID 59968407
ethane;3H-pyridin-3-ide;yttrium
CID 142017412
3H-pyridin-3-ide;titanium;trihydrochloride
CID 173180210
potassium;3H-pyridin-3-ide;tritetrafluoroborate
CID 174991374
ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium)
CID 162081028
CID 157473155
CID 157473155
benzene
CID 10863811
magnesium;benzene;copper(1+);dichloride
CID 134876099
disilver;benzene
CID 177418467
bis(pyridine);hydrate;hydrochloride
CID 173340794
benzene;manganese;chloride
CID 175787776
pyrimidine;dihydrate;hydrochloride
CID 142797131

Frequently Asked Questions

What is the IUPAC name of copper(1+);3H-pyridin-3-ide?
The IUPAC name of copper(1+);3H-pyridin-3-ide (CID 59371761) is copper(1+);3H-pyridin-3-ide.
What is the SMILES notation for copper(1+);3H-pyridin-3-ide?
The canonical SMILES for copper(1+);3H-pyridin-3-ide is [Cu+].[c-]1cccnc1.
What is the InChIKey of copper(1+);3H-pyridin-3-ide?
The InChIKey is BMVJMRHNIMATLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N.Cu/c1-2-4-6-5-3-1;/h1-2,4-5H;/q-1;+1.
What are the key properties of copper(1+);3H-pyridin-3-ide?
copper(1+);3H-pyridin-3-ide has a molecular weight of 141.64 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);3H-pyridin-3-ide is sourced from PubChem (CID 59371761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).