lithium;formic acid;hydride;pyridine-4-carbonitrile

C7H7LiN2O2 — CID 174671107

IUPAClithium;formic acid;hydride;pyridine-4-carbonitrile
SMILESN#Cc1ccncc1.O=CO.[H-].[Li+]
InChIInChI=1S/C6H4N2.CH2O2.Li.H/c7-5-6-1-3-8-4-2-6;2-1-3;;/h1-4H;1H,(H,2,3);;/q;;+1;-1
InChIKeyCELIWVCZVAMGCF-UHFFFAOYSA-N
MW158.09 g/mol
LogP-2.23
Rot. Bonds

About lithium;formic acid;hydride;pyridine-4-carbonitrile

lithium;formic acid;hydride;pyridine-4-carbonitrile (PubChem CID 174671107) has the molecular formula C7H7LiN2O2 and a molecular weight of 158.09 g/mol. Its IUPAC name is lithium;formic acid;hydride;pyridine-4-carbonitrile.

Molecular Properties

Compound Namelithium;formic acid;hydride;pyridine-4-carbonitrile
PubChem CID174671107
Molecular FormulaC7H7LiN2O2
Molecular Weight158.09 g/mol
Exact Mass158.07
IUPAC Namelithium;formic acid;hydride;pyridine-4-carbonitrile
SMILESN#Cc1ccncc1.O=CO.[H-].[Li+]
InChIInChI=1S/C6H4N2.CH2O2.Li.H/c7-5-6-1-3-8-4-2-6;2-1-3;;/h1-4H;1H,(H,2,3);;/q;;+1;-1
InChIKeyCELIWVCZVAMGCF-UHFFFAOYSA-N
XLogP-2.23
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;formic acid;hydride;pyridine-4-carbonitrile?
The IUPAC name of lithium;formic acid;hydride;pyridine-4-carbonitrile (CID 174671107) is lithium;formic acid;hydride;pyridine-4-carbonitrile.
What is the SMILES notation for lithium;formic acid;hydride;pyridine-4-carbonitrile?
The canonical SMILES for lithium;formic acid;hydride;pyridine-4-carbonitrile is N#Cc1ccncc1.O=CO.[H-].[Li+].
What is the InChIKey of lithium;formic acid;hydride;pyridine-4-carbonitrile?
The InChIKey is CELIWVCZVAMGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2.CH2O2.Li.H/c7-5-6-1-3-8-4-2-6;2-1-3;;/h1-4H;1H,(H,2,3);;/q;;+1;-1.
What are the key properties of lithium;formic acid;hydride;pyridine-4-carbonitrile?
lithium;formic acid;hydride;pyridine-4-carbonitrile has a molecular weight of 158.09 g/mol, XLogP of -2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;formic acid;hydride;pyridine-4-carbonitrile is sourced from PubChem (CID 174671107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).