CID 143233080

C4H2BBrN2O — CID 143233080

IUPAC—
SMILES[B]c1[nH]nc(Br)c1C=O
InChIInChI=1S/C4H2BBrN2O/c5-3-2(1-9)4(6)8-7-3/h1H,(H,7,8)
InChIKeyUSIZVDNPCSBVHB-UHFFFAOYSA-N
MW184.79 g/mol
LogP-0.22
Rot. Bonds1

About CID 143233080

CID 143233080 (PubChem CID 143233080) has the molecular formula C4H2BBrN2O and a molecular weight of 184.79 g/mol.

Molecular Properties

Compound NameCID 143233080
PubChem CID143233080
Molecular FormulaC4H2BBrN2O
Molecular Weight184.79 g/mol
Exact Mass183.94
IUPAC Name—
SMILES[B]c1[nH]nc(Br)c1C=O
InChIInChI=1S/C4H2BBrN2O/c5-3-2(1-9)4(6)8-7-3/h1H,(H,7,8)
InChIKeyUSIZVDNPCSBVHB-UHFFFAOYSA-N
XLogP-0.22
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.79
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 143233080?
The IUPAC name of CID 143233080 (CID 143233080) is not available.
What is the SMILES notation for CID 143233080?
The canonical SMILES for CID 143233080 is [B]c1[nH]nc(Br)c1C=O.
What is the InChIKey of CID 143233080?
The InChIKey is USIZVDNPCSBVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BBrN2O/c5-3-2(1-9)4(6)8-7-3/h1H,(H,7,8).
What are the key properties of CID 143233080?
CID 143233080 has a molecular weight of 184.79 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143233080 is sourced from PubChem (CID 143233080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).