lithium;phosphoric acid;cyanide

CH3LiNO4P — CID 175298070

IUPAClithium;phosphoric acid;cyanide
SMILESO=P(O)(O)O.[C-]#N.[Li+]
InChIInChI=1S/CN.Li.H3O4P/c1-2;;1-5(2,3)4/h;;(H3,1,2,3,4)/q-1;+1;
InChIKeyKMFLIFCCLNOWEA-UHFFFAOYSA-N
MW130.95 g/mol
LogP-3.83
Rot. Bonds

About lithium;phosphoric acid;cyanide

lithium;phosphoric acid;cyanide (PubChem CID 175298070) has the molecular formula CH3LiNO4P and a molecular weight of 130.95 g/mol. Its IUPAC name is lithium;phosphoric acid;cyanide.

Molecular Properties

Compound Namelithium;phosphoric acid;cyanide
PubChem CID175298070
Molecular FormulaCH3LiNO4P
Molecular Weight130.95 g/mol
Exact Mass131.00
IUPAC Namelithium;phosphoric acid;cyanide
SMILESO=P(O)(O)O.[C-]#N.[Li+]
InChIInChI=1S/CN.Li.H3O4P/c1-2;;1-5(2,3)4/h;;(H3,1,2,3,4)/q-1;+1;
InChIKeyKMFLIFCCLNOWEA-UHFFFAOYSA-N
XLogP-3.83
TPSA101.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.95
LogP ≤ 5-3.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;phosphoric acid;cyanide?
The IUPAC name of lithium;phosphoric acid;cyanide (CID 175298070) is lithium;phosphoric acid;cyanide.
What is the SMILES notation for lithium;phosphoric acid;cyanide?
The canonical SMILES for lithium;phosphoric acid;cyanide is O=P(O)(O)O.[C-]#N.[Li+].
What is the InChIKey of lithium;phosphoric acid;cyanide?
The InChIKey is KMFLIFCCLNOWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/CN.Li.H3O4P/c1-2;;1-5(2,3)4/h;;(H3,1,2,3,4)/q-1;+1;.
What are the key properties of lithium;phosphoric acid;cyanide?
lithium;phosphoric acid;cyanide has a molecular weight of 130.95 g/mol, XLogP of -3.83, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;phosphoric acid;cyanide is sourced from PubChem (CID 175298070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).