CID 101024891

C9H9BrNSe — CID 101024891

IUPAC—
SMILES[Se]CC1Cc2cc(Br)ccc2N1
InChIInChI=1S/C9H9BrNSe/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-3,8,11H,4-5H2
InChIKeyZLVXZRLYMRKNBR-UHFFFAOYSA-N
MW290.04 g/mol
LogP2.37
Rot. Bonds1

About CID 101024891

CID 101024891 (PubChem CID 101024891) has the molecular formula C9H9BrNSe and a molecular weight of 290.04 g/mol.

Molecular Properties

Compound NameCID 101024891
PubChem CID101024891
Molecular FormulaC9H9BrNSe
Molecular Weight290.04 g/mol
Exact Mass289.91
IUPAC Name—
SMILES[Se]CC1Cc2cc(Br)ccc2N1
InChIInChI=1S/C9H9BrNSe/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-3,8,11H,4-5H2
InChIKeyZLVXZRLYMRKNBR-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.04
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101024891?
The IUPAC name of CID 101024891 (CID 101024891) is not available.
What is the SMILES notation for CID 101024891?
The canonical SMILES for CID 101024891 is [Se]CC1Cc2cc(Br)ccc2N1.
What is the InChIKey of CID 101024891?
The InChIKey is ZLVXZRLYMRKNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrNSe/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-3,8,11H,4-5H2.
What are the key properties of CID 101024891?
CID 101024891 has a molecular weight of 290.04 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101024891 is sourced from PubChem (CID 101024891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).