1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol

C13H15BrNOSe+ — CID 132917684

IUPAC1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol
SMILESOC1(c2[se][n+]3ccccc3c2Br)CCCCC1
InChIInChI=1S/C13H15BrNOSe/c14-11-10-6-2-5-9-15(10)17-12(11)13(16)7-3-1-4-8-13/h2,5-6,9,16H,1,3-4,7-8H2/q+1
InChIKeyPCPATGCDBXEVGM-UHFFFAOYSA-N
MW360.13 g/mol
LogP2.40
Rot. Bonds1

About 1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol

1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol (PubChem CID 132917684) has the molecular formula C13H15BrNOSe+ and a molecular weight of 360.13 g/mol. Its IUPAC name is 1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol
PubChem CID132917684
Molecular FormulaC13H15BrNOSe+
Molecular Weight360.13 g/mol
Exact Mass359.95
IUPAC Name1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol
SMILESOC1(c2[se][n+]3ccccc3c2Br)CCCCC1
InChIInChI=1S/C13H15BrNOSe/c14-11-10-6-2-5-9-15(10)17-12(11)13(16)7-3-1-4-8-13/h2,5-6,9,16H,1,3-4,7-8H2/q+1
InChIKeyPCPATGCDBXEVGM-UHFFFAOYSA-N
XLogP2.40
TPSA24.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 52.40
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 1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol (CID 132917684) is 1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol is OC1(c2[se][n+]3ccccc3c2Br)CCCCC1.
What is the InChIKey of 1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol?
The InChIKey is PCPATGCDBXEVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrNOSe/c14-11-10-6-2-5-9-15(10)17-12(11)13(16)7-3-1-4-8-13/h2,5-6,9,16H,1,3-4,7-8H2/q+1.
What are the key properties of 1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol?
1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol has a molecular weight of 360.13 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-[1,2]selenazolo[2,3-a]pyridin-8-ium-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 132917684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).