lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one

C6H5F3LiNO — CID 175395479

IUPAClithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)c[nH]1.[H-].[Li+]
InChIInChI=1S/C6H4F3NO.Li.H/c7-6(8,9)4-1-2-5(11)10-3-4;;/h1-3H,(H,10,11);;/q;+1;-1
InChIKeyZJLZJRDNBIYEGH-UHFFFAOYSA-N
MW171.05 g/mol
LogP-1.49
Rot. Bonds

About lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one

lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 175395479) has the molecular formula C6H5F3LiNO and a molecular weight of 171.05 g/mol. Its IUPAC name is lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Namelithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID175395479
Molecular FormulaC6H5F3LiNO
Molecular Weight171.05 g/mol
Exact Mass171.05
IUPAC Namelithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)c[nH]1.[H-].[Li+]
InChIInChI=1S/C6H4F3NO.Li.H/c7-6(8,9)4-1-2-5(11)10-3-4;;/h1-3H,(H,10,11);;/q;+1;-1
InChIKeyZJLZJRDNBIYEGH-UHFFFAOYSA-N
XLogP-1.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.05
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one (CID 175395479) is lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one is O=c1ccc(C(F)(F)F)c[nH]1.[H-].[Li+].
What is the InChIKey of lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ZJLZJRDNBIYEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO.Li.H/c7-6(8,9)4-1-2-5(11)10-3-4;;/h1-3H,(H,10,11);;/q;+1;-1.
What are the key properties of lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one?
lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 171.05 g/mol, XLogP of -1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 175395479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).