CID 88938881

C10H8BBrNO2 — CID 88938881

IUPAC—
SMILESCO[B]n1cc(C=O)c2ccc(Br)cc21
InChIInChI=1S/C10H8BBrNO2/c1-15-11-13-5-7(6-14)9-3-2-8(12)4-10(9)13/h2-6H,1H3
InChIKeyYXGPBQNZSHUDIW-UHFFFAOYSA-N
MW264.89 g/mol
LogP2.24
Rot. Bonds3

About CID 88938881

CID 88938881 (PubChem CID 88938881) has the molecular formula C10H8BBrNO2 and a molecular weight of 264.89 g/mol.

Molecular Properties

Compound NameCID 88938881
PubChem CID88938881
Molecular FormulaC10H8BBrNO2
Molecular Weight264.89 g/mol
Exact Mass263.98
IUPAC Name—
SMILESCO[B]n1cc(C=O)c2ccc(Br)cc21
InChIInChI=1S/C10H8BBrNO2/c1-15-11-13-5-7(6-14)9-3-2-8(12)4-10(9)13/h2-6H,1H3
InChIKeyYXGPBQNZSHUDIW-UHFFFAOYSA-N
XLogP2.24
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.89
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 88938881?
The IUPAC name of CID 88938881 (CID 88938881) is not available.
What is the SMILES notation for CID 88938881?
The canonical SMILES for CID 88938881 is CO[B]n1cc(C=O)c2ccc(Br)cc21.
What is the InChIKey of CID 88938881?
The InChIKey is YXGPBQNZSHUDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BBrNO2/c1-15-11-13-5-7(6-14)9-3-2-8(12)4-10(9)13/h2-6H,1H3.
What are the key properties of CID 88938881?
CID 88938881 has a molecular weight of 264.89 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88938881 is sourced from PubChem (CID 88938881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).