CID 175727242

C11H9N2Na2+ — CID 175727242

IUPAC—
SMILES[Na].[Na].c1c[nH+]c2c(c1)ccc1[nH]ccc12
InChIInChI=1S/C11H8N2.2Na/c1-2-8-3-4-10-9(5-7-12-10)11(8)13-6-1;;/h1-7,12H;;/p+1
InChIKeyDEMCITCUBQVXBT-UHFFFAOYSA-O
MW215.19 g/mol
LogP1.37
Rot. Bonds

About CID 175727242

CID 175727242 (PubChem CID 175727242) has the molecular formula C11H9N2Na2+ and a molecular weight of 215.19 g/mol.

Molecular Properties

Compound NameCID 175727242
PubChem CID175727242
Molecular FormulaC11H9N2Na2+
Molecular Weight215.19 g/mol
Exact Mass215.06
IUPAC Name—
SMILES[Na].[Na].c1c[nH+]c2c(c1)ccc1[nH]ccc12
InChIInChI=1S/C11H8N2.2Na/c1-2-8-3-4-10-9(5-7-12-10)11(8)13-6-1;;/h1-7,12H;;/p+1
InChIKeyDEMCITCUBQVXBT-UHFFFAOYSA-O
XLogP1.37
TPSA29.93 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 175727242?
The IUPAC name of CID 175727242 (CID 175727242) is not available.
What is the SMILES notation for CID 175727242?
The canonical SMILES for CID 175727242 is [Na].[Na].c1c[nH+]c2c(c1)ccc1[nH]ccc12.
What is the InChIKey of CID 175727242?
The InChIKey is DEMCITCUBQVXBT-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H8N2.2Na/c1-2-8-3-4-10-9(5-7-12-10)11(8)13-6-1;;/h1-7,12H;;/p+1.
What are the key properties of CID 175727242?
CID 175727242 has a molecular weight of 215.19 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175727242 is sourced from PubChem (CID 175727242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).