CID 167386305

C5H3BrN2O3 — CID 167386305

IUPAC—
SMILES[CH]COC(=O)c1nnc(Br)o1
InChIInChI=1S/C5H3BrN2O3/c1-2-10-4(9)3-7-8-5(6)11-3/h1H,2H2
InChIKeyCFQWQKMQSJCIMH-UHFFFAOYSA-N
MW218.99 g/mol
LogP0.70
Rot. Bonds2

About CID 167386305

CID 167386305 (PubChem CID 167386305) has the molecular formula C5H3BrN2O3 and a molecular weight of 218.99 g/mol.

Molecular Properties

Compound NameCID 167386305
PubChem CID167386305
Molecular FormulaC5H3BrN2O3
Molecular Weight218.99 g/mol
Exact Mass217.93
IUPAC Name—
SMILES[CH]COC(=O)c1nnc(Br)o1
InChIInChI=1S/C5H3BrN2O3/c1-2-10-4(9)3-7-8-5(6)11-3/h1H,2H2
InChIKeyCFQWQKMQSJCIMH-UHFFFAOYSA-N
XLogP0.70
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.99
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 167386305?
The IUPAC name of CID 167386305 (CID 167386305) is not available.
What is the SMILES notation for CID 167386305?
The canonical SMILES for CID 167386305 is [CH]COC(=O)c1nnc(Br)o1.
What is the InChIKey of CID 167386305?
The InChIKey is CFQWQKMQSJCIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN2O3/c1-2-10-4(9)3-7-8-5(6)11-3/h1H,2H2.
What are the key properties of CID 167386305?
CID 167386305 has a molecular weight of 218.99 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167386305 is sourced from PubChem (CID 167386305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).