CID 162106307

C5H2Cl3NNa — CID 162106307

IUPAC—
SMILESClc1cnc(Cl)c(Cl)c1.[Na]
InChIInChI=1S/C5H2Cl3N.Na/c6-3-1-4(7)5(8)9-2-3;/h1-2H;
InChIKeyZFOCIXSOBCAMNY-UHFFFAOYSA-N
MW205.43 g/mol
LogP2.66
Rot. Bonds

About CID 162106307

CID 162106307 (PubChem CID 162106307) has the molecular formula C5H2Cl3NNa and a molecular weight of 205.43 g/mol.

Molecular Properties

Compound NameCID 162106307
PubChem CID162106307
Molecular FormulaC5H2Cl3NNa
Molecular Weight205.43 g/mol
Exact Mass203.92
IUPAC Name—
SMILESClc1cnc(Cl)c(Cl)c1.[Na]
InChIInChI=1S/C5H2Cl3N.Na/c6-3-1-4(7)5(8)9-2-3;/h1-2H;
InChIKeyZFOCIXSOBCAMNY-UHFFFAOYSA-N
XLogP2.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162106307?
The IUPAC name of CID 162106307 (CID 162106307) is not available.
What is the SMILES notation for CID 162106307?
The canonical SMILES for CID 162106307 is Clc1cnc(Cl)c(Cl)c1.[Na].
What is the InChIKey of CID 162106307?
The InChIKey is ZFOCIXSOBCAMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl3N.Na/c6-3-1-4(7)5(8)9-2-3;/h1-2H;.
What are the key properties of CID 162106307?
CID 162106307 has a molecular weight of 205.43 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162106307 is sourced from PubChem (CID 162106307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).