CID 175937217

C7H5LiN3O2 — CID 175937217

IUPAC—
SMILESO=C(O)c1nnc2ccccn12.[Li]
InChIInChI=1S/C7H5N3O2.Li/c11-7(12)6-9-8-5-3-1-2-4-10(5)6;/h1-4H,(H,11,12);
InChIKeyADDRQTFXOCGEKA-UHFFFAOYSA-N
MW170.08 g/mol
LogP0.05
Rot. Bonds1

About CID 175937217

CID 175937217 (PubChem CID 175937217) has the molecular formula C7H5LiN3O2 and a molecular weight of 170.08 g/mol.

Molecular Properties

Compound NameCID 175937217
PubChem CID175937217
Molecular FormulaC7H5LiN3O2
Molecular Weight170.08 g/mol
Exact Mass170.05
IUPAC Name—
SMILESO=C(O)c1nnc2ccccn12.[Li]
InChIInChI=1S/C7H5N3O2.Li/c11-7(12)6-9-8-5-3-1-2-4-10(5)6;/h1-4H,(H,11,12);
InChIKeyADDRQTFXOCGEKA-UHFFFAOYSA-N
XLogP0.05
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175937217?
The IUPAC name of CID 175937217 (CID 175937217) is not available.
What is the SMILES notation for CID 175937217?
The canonical SMILES for CID 175937217 is O=C(O)c1nnc2ccccn12.[Li].
What is the InChIKey of CID 175937217?
The InChIKey is ADDRQTFXOCGEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2.Li/c11-7(12)6-9-8-5-3-1-2-4-10(5)6;/h1-4H,(H,11,12);.
What are the key properties of CID 175937217?
CID 175937217 has a molecular weight of 170.08 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175937217 is sourced from PubChem (CID 175937217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).