CID 175798578

C11H6Cl2KN2O2 — CID 175798578

IUPAC—
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nc(Cl)n1.[K]
InChIInChI=1S/C11H6Cl2N2O2.K/c12-7-3-1-6(2-4-7)8-5-9(10(16)17)15-11(13)14-8;/h1-5H,(H,16,17);
InChIKeyQDQUHIYEQUIONA-UHFFFAOYSA-N
MW308.19 g/mol
LogP2.77
Rot. Bonds2

About CID 175798578

CID 175798578 (PubChem CID 175798578) has the molecular formula C11H6Cl2KN2O2 and a molecular weight of 308.19 g/mol.

Molecular Properties

Compound NameCID 175798578
PubChem CID175798578
Molecular FormulaC11H6Cl2KN2O2
Molecular Weight308.19 g/mol
Exact Mass306.94
IUPAC Name—
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nc(Cl)n1.[K]
InChIInChI=1S/C11H6Cl2N2O2.K/c12-7-3-1-6(2-4-7)8-5-9(10(16)17)15-11(13)14-8;/h1-5H,(H,16,17);
InChIKeyQDQUHIYEQUIONA-UHFFFAOYSA-N
XLogP2.77
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 175798578?
The IUPAC name of CID 175798578 (CID 175798578) is not available.
What is the SMILES notation for CID 175798578?
The canonical SMILES for CID 175798578 is O=C(O)c1cc(-c2ccc(Cl)cc2)nc(Cl)n1.[K].
What is the InChIKey of CID 175798578?
The InChIKey is QDQUHIYEQUIONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O2.K/c12-7-3-1-6(2-4-7)8-5-9(10(16)17)15-11(13)14-8;/h1-5H,(H,16,17);.
What are the key properties of CID 175798578?
CID 175798578 has a molecular weight of 308.19 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175798578 is sourced from PubChem (CID 175798578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).