CID 66974961

C8H5LiNO3 — CID 66974961

IUPAC—
SMILESO=C1c2ccccc2C(=O)N1O.[Li]
InChIInChI=1S/C8H5NO3.Li/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;/h1-4,12H;
InChIKeyPEVDDYLJKFCFEF-UHFFFAOYSA-N
MW170.07 g/mol
LogP0.29
Rot. Bonds

About CID 66974961

CID 66974961 (PubChem CID 66974961) has the molecular formula C8H5LiNO3 and a molecular weight of 170.07 g/mol.

Molecular Properties

Compound NameCID 66974961
PubChem CID66974961
Molecular FormulaC8H5LiNO3
Molecular Weight170.07 g/mol
Exact Mass170.04
IUPAC Name—
SMILESO=C1c2ccccc2C(=O)N1O.[Li]
InChIInChI=1S/C8H5NO3.Li/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;/h1-4,12H;
InChIKeyPEVDDYLJKFCFEF-UHFFFAOYSA-N
XLogP0.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.07
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 66974961?
The IUPAC name of CID 66974961 (CID 66974961) is not available.
What is the SMILES notation for CID 66974961?
The canonical SMILES for CID 66974961 is O=C1c2ccccc2C(=O)N1O.[Li].
What is the InChIKey of CID 66974961?
The InChIKey is PEVDDYLJKFCFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3.Li/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;/h1-4,12H;.
What are the key properties of CID 66974961?
CID 66974961 has a molecular weight of 170.07 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66974961 is sourced from PubChem (CID 66974961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).