CID 161271779

C8H5LiN3 — CID 161271779

IUPAC—
SMILESN#Cc1nc2ccccc2[nH]1.[Li]
InChIInChI=1S/C8H5N3.Li/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-4H,(H,10,11);
InChIKeyVDXLOLRXAQXZRU-UHFFFAOYSA-N
MW150.09 g/mol
LogP1.05
Rot. Bonds

About CID 161271779

CID 161271779 (PubChem CID 161271779) has the molecular formula C8H5LiN3 and a molecular weight of 150.09 g/mol.

Molecular Properties

Compound NameCID 161271779
PubChem CID161271779
Molecular FormulaC8H5LiN3
Molecular Weight150.09 g/mol
Exact Mass150.06
IUPAC Name—
SMILESN#Cc1nc2ccccc2[nH]1.[Li]
InChIInChI=1S/C8H5N3.Li/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-4H,(H,10,11);
InChIKeyVDXLOLRXAQXZRU-UHFFFAOYSA-N
XLogP1.05
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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azane;2-phenyl-1H-benzimidazole
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2-phenyl-1H-benzimidazole;hydrobromide
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2-phenyl-1H-benzimidazole;zinc
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Frequently Asked Questions

What is the IUPAC name of CID 161271779?
The IUPAC name of CID 161271779 (CID 161271779) is not available.
What is the SMILES notation for CID 161271779?
The canonical SMILES for CID 161271779 is N#Cc1nc2ccccc2[nH]1.[Li].
What is the InChIKey of CID 161271779?
The InChIKey is VDXLOLRXAQXZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3.Li/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-4H,(H,10,11);.
What are the key properties of CID 161271779?
CID 161271779 has a molecular weight of 150.09 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161271779 is sourced from PubChem (CID 161271779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).