CID 162461227

C5H2ClN3O2 — CID 162461227

IUPAC—
SMILES[CH]Oc1nc(Cl)nc(O[CH])n1
InChIInChI=1S/C5H2ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H
InChIKeyZFPDAJMNFLVYBA-UHFFFAOYSA-N
MW171.54 g/mol
LogP0.62
Rot. Bonds2

About CID 162461227

CID 162461227 (PubChem CID 162461227) has the molecular formula C5H2ClN3O2 and a molecular weight of 171.54 g/mol.

Molecular Properties

Compound NameCID 162461227
PubChem CID162461227
Molecular FormulaC5H2ClN3O2
Molecular Weight171.54 g/mol
Exact Mass170.98
IUPAC Name—
SMILES[CH]Oc1nc(Cl)nc(O[CH])n1
InChIInChI=1S/C5H2ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H
InChIKeyZFPDAJMNFLVYBA-UHFFFAOYSA-N
XLogP0.62
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.54
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 162461227?
The IUPAC name of CID 162461227 (CID 162461227) is not available.
What is the SMILES notation for CID 162461227?
The canonical SMILES for CID 162461227 is [CH]Oc1nc(Cl)nc(O[CH])n1.
What is the InChIKey of CID 162461227?
The InChIKey is ZFPDAJMNFLVYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H.
What are the key properties of CID 162461227?
CID 162461227 has a molecular weight of 171.54 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162461227 is sourced from PubChem (CID 162461227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).