CID 157182530

C8H8Cl2N2NaO2 — CID 157182530

IUPAC—
SMILESCOC(=O)Cc1c(Cl)nc(C)nc1Cl.[Na]
InChIInChI=1S/C8H8Cl2N2O2.Na/c1-4-11-7(9)5(8(10)12-4)3-6(13)14-2;/h3H2,1-2H3;
InChIKeyAOSRWVFXXWGBQY-UHFFFAOYSA-N
MW258.06 g/mol
LogP1.43
Rot. Bonds2

About CID 157182530

CID 157182530 (PubChem CID 157182530) has the molecular formula C8H8Cl2N2NaO2 and a molecular weight of 258.06 g/mol.

Molecular Properties

Compound NameCID 157182530
PubChem CID157182530
Molecular FormulaC8H8Cl2N2NaO2
Molecular Weight258.06 g/mol
Exact Mass256.99
IUPAC Name—
SMILESCOC(=O)Cc1c(Cl)nc(C)nc1Cl.[Na]
InChIInChI=1S/C8H8Cl2N2O2.Na/c1-4-11-7(9)5(8(10)12-4)3-6(13)14-2;/h3H2,1-2H3;
InChIKeyAOSRWVFXXWGBQY-UHFFFAOYSA-N
XLogP1.43
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 157182530?
The IUPAC name of CID 157182530 (CID 157182530) is not available.
What is the SMILES notation for CID 157182530?
The canonical SMILES for CID 157182530 is COC(=O)Cc1c(Cl)nc(C)nc1Cl.[Na].
What is the InChIKey of CID 157182530?
The InChIKey is AOSRWVFXXWGBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2.Na/c1-4-11-7(9)5(8(10)12-4)3-6(13)14-2;/h3H2,1-2H3;.
What are the key properties of CID 157182530?
CID 157182530 has a molecular weight of 258.06 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157182530 is sourced from PubChem (CID 157182530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).