CID 160573675

C11H8Cl3NNaO — CID 160573675

IUPAC—
SMILESClc1ccnc(Cl)c1Cl.Oc1ccccc1.[Na]
InChIInChI=1S/C6H6O.C5H2Cl3N.Na/c7-6-4-2-1-3-5-6;6-3-1-2-9-5(8)4(3)7;/h1-5,7H;1-2H;
InChIKeyRAWFJJYDGGXPTI-UHFFFAOYSA-N
MW299.54 g/mol
LogP4.05
Rot. Bonds

About CID 160573675

CID 160573675 (PubChem CID 160573675) has the molecular formula C11H8Cl3NNaO and a molecular weight of 299.54 g/mol.

Molecular Properties

Compound NameCID 160573675
PubChem CID160573675
Molecular FormulaC11H8Cl3NNaO
Molecular Weight299.54 g/mol
Exact Mass297.96
IUPAC Name—
SMILESClc1ccnc(Cl)c1Cl.Oc1ccccc1.[Na]
InChIInChI=1S/C6H6O.C5H2Cl3N.Na/c7-6-4-2-1-3-5-6;6-3-1-2-9-5(8)4(3)7;/h1-5,7H;1-2H;
InChIKeyRAWFJJYDGGXPTI-UHFFFAOYSA-N
XLogP4.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze CID 160573675 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 160573675?
The IUPAC name of CID 160573675 (CID 160573675) is not available.
What is the SMILES notation for CID 160573675?
The canonical SMILES for CID 160573675 is Clc1ccnc(Cl)c1Cl.Oc1ccccc1.[Na].
What is the InChIKey of CID 160573675?
The InChIKey is RAWFJJYDGGXPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C5H2Cl3N.Na/c7-6-4-2-1-3-5-6;6-3-1-2-9-5(8)4(3)7;/h1-5,7H;1-2H;.
What are the key properties of CID 160573675?
CID 160573675 has a molecular weight of 299.54 g/mol, XLogP of 4.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160573675 is sourced from PubChem (CID 160573675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).