CID 6391857

C10H8N2Tl — CID 6391857

IUPAC—
SMILESc1ccc([Tl]c2ccccn2)nc1
InChIInChI=1S/2C5H4N.Tl/c2*1-2-4-6-5-3-1;/h2*1-4H;
InChIKeyMUROFMJWHBSDOO-UHFFFAOYSA-N
MW360.57 g/mol
LogP0.13
Rot. Bonds2

About CID 6391857

CID 6391857 (PubChem CID 6391857) has the molecular formula C10H8N2Tl and a molecular weight of 360.57 g/mol.

Molecular Properties

Compound NameCID 6391857
PubChem CID6391857
Molecular FormulaC10H8N2Tl
Molecular Weight360.57 g/mol
Exact Mass361.04
IUPAC Name—
SMILESc1ccc([Tl]c2ccccn2)nc1
InChIInChI=1S/2C5H4N.Tl/c2*1-2-4-6-5-3-1;/h2*1-4H;
InChIKeyMUROFMJWHBSDOO-UHFFFAOYSA-N
XLogP0.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 6391857?
The IUPAC name of CID 6391857 (CID 6391857) is not available.
What is the SMILES notation for CID 6391857?
The canonical SMILES for CID 6391857 is c1ccc([Tl]c2ccccn2)nc1.
What is the InChIKey of CID 6391857?
The InChIKey is MUROFMJWHBSDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4N.Tl/c2*1-2-4-6-5-3-1;/h2*1-4H;.
What are the key properties of CID 6391857?
CID 6391857 has a molecular weight of 360.57 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6391857 is sourced from PubChem (CID 6391857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).