azanium;formate;hydrochloride

CH6ClNO2 — CID 141350255

IUPACazanium;formate;hydrochloride
SMILESCl.O=C[O-].[NH4+]
InChIInChI=1S/CH2O2.ClH.H3N/c2-1-3;;/h1H,(H,2,3);1H;1H3
InChIKeyOHQJGGCCVFOWMQ-UHFFFAOYSA-N
MW99.52 g/mol
LogP-0.84
Rot. Bonds

About azanium;formate;hydrochloride

azanium;formate;hydrochloride (PubChem CID 141350255) has the molecular formula CH6ClNO2 and a molecular weight of 99.52 g/mol. Its IUPAC name is azanium;formate;hydrochloride.

Molecular Properties

Compound Nameazanium;formate;hydrochloride
PubChem CID141350255
Molecular FormulaCH6ClNO2
Molecular Weight99.52 g/mol
Exact Mass99.01
IUPAC Nameazanium;formate;hydrochloride
SMILESCl.O=C[O-].[NH4+]
InChIInChI=1S/CH2O2.ClH.H3N/c2-1-3;;/h1H,(H,2,3);1H;1H3
InChIKeyOHQJGGCCVFOWMQ-UHFFFAOYSA-N
XLogP-0.84
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.52
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azanium;formate;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azanium;formate;hydrochloride?
The IUPAC name of azanium;formate;hydrochloride (CID 141350255) is azanium;formate;hydrochloride.
What is the SMILES notation for azanium;formate;hydrochloride?
The canonical SMILES for azanium;formate;hydrochloride is Cl.O=C[O-].[NH4+].
What is the InChIKey of azanium;formate;hydrochloride?
The InChIKey is OHQJGGCCVFOWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.ClH.H3N/c2-1-3;;/h1H,(H,2,3);1H;1H3.
What are the key properties of azanium;formate;hydrochloride?
azanium;formate;hydrochloride has a molecular weight of 99.52 g/mol, XLogP of -0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;formate;hydrochloride is sourced from PubChem (CID 141350255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).