CID 164683315

C10H8N2Rf- — CID 164683315

IUPAC—
SMILESCc1cc2n[c][c-]nc2cc1C.[Rf]
InChIInChI=1S/C10H8N2.Rf/c1-7-5-9-10(6-8(7)2)12-4-3-11-9;/h5-6H,1-2H3;/q-1;
InChIKeyQIRNFVWFLYMPRD-UHFFFAOYSA-N
MW423.19 g/mol
LogP1.85
Rot. Bonds

About CID 164683315

CID 164683315 (PubChem CID 164683315) has the molecular formula C10H8N2Rf- and a molecular weight of 423.19 g/mol.

Molecular Properties

Compound NameCID 164683315
PubChem CID164683315
Molecular FormulaC10H8N2Rf-
Molecular Weight423.19 g/mol
Exact Mass423.19
IUPAC Name—
SMILESCc1cc2n[c][c-]nc2cc1C.[Rf]
InChIInChI=1S/C10H8N2.Rf/c1-7-5-9-10(6-8(7)2)12-4-3-11-9;/h5-6H,1-2H3;/q-1;
InChIKeyQIRNFVWFLYMPRD-UHFFFAOYSA-N
XLogP1.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 164683315?
The IUPAC name of CID 164683315 (CID 164683315) is not available.
What is the SMILES notation for CID 164683315?
The canonical SMILES for CID 164683315 is Cc1cc2n[c][c-]nc2cc1C.[Rf].
What is the InChIKey of CID 164683315?
The InChIKey is QIRNFVWFLYMPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.Rf/c1-7-5-9-10(6-8(7)2)12-4-3-11-9;/h5-6H,1-2H3;/q-1;.
What are the key properties of CID 164683315?
CID 164683315 has a molecular weight of 423.19 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164683315 is sourced from PubChem (CID 164683315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).