azanium;formic acid;chloride

CH6ClNO2 — CID 159996838

IUPACazanium;formic acid;chloride
SMILESO=CO.[Cl-].[NH4+]
InChIInChI=1S/CH2O2.ClH.H3N/c2-1-3;;/h1H,(H,2,3);1H;1H3
InChIKeyOHQJGGCCVFOWMQ-UHFFFAOYSA-N
MW99.52 g/mol
LogP-2.92
Rot. Bonds

About azanium;formic acid;chloride

azanium;formic acid;chloride (PubChem CID 159996838) has the molecular formula CH6ClNO2 and a molecular weight of 99.52 g/mol. Its IUPAC name is azanium;formic acid;chloride.

Molecular Properties

Compound Nameazanium;formic acid;chloride
PubChem CID159996838
Molecular FormulaCH6ClNO2
Molecular Weight99.52 g/mol
Exact Mass99.01
IUPAC Nameazanium;formic acid;chloride
SMILESO=CO.[Cl-].[NH4+]
InChIInChI=1S/CH2O2.ClH.H3N/c2-1-3;;/h1H,(H,2,3);1H;1H3
InChIKeyOHQJGGCCVFOWMQ-UHFFFAOYSA-N
XLogP-2.92
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.52
LogP ≤ 5-2.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azanium;formic acid;chloride?
The IUPAC name of azanium;formic acid;chloride (CID 159996838) is azanium;formic acid;chloride.
What is the SMILES notation for azanium;formic acid;chloride?
The canonical SMILES for azanium;formic acid;chloride is O=CO.[Cl-].[NH4+].
What is the InChIKey of azanium;formic acid;chloride?
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;formic acid;chloride?
azanium;formic acid;chloride has a molecular weight of 99.52 g/mol, XLogP of -2.92, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;formic acid;chloride is sourced from PubChem (CID 159996838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).