CID 87967042

C9H6NSe — CID 87967042

IUPAC—
SMILES[Se]c1ccc2ncccc2c1
InChIInChI=1S/C9H6NSe/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
InChIKeyPJBBYWFQFHUDAQ-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.03
Rot. Bonds

About CID 87967042

CID 87967042 (PubChem CID 87967042) has the molecular formula C9H6NSe and a molecular weight of 207.11 g/mol.

Molecular Properties

Compound NameCID 87967042
PubChem CID87967042
Molecular FormulaC9H6NSe
Molecular Weight207.11 g/mol
Exact Mass207.97
IUPAC Name—
SMILES[Se]c1ccc2ncccc2c1
InChIInChI=1S/C9H6NSe/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
InChIKeyPJBBYWFQFHUDAQ-UHFFFAOYSA-N
XLogP1.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methylquinoline
CID 7059
bis(6-bromoquinoline);hydrate
CID 174834691
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
quinoline
CID 76974643
6-(3-methylphenyl)quinoline
CID 4185278
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
hydron;quinoline
CID 131854096
quinoline;silver
CID 88761492
CID 175273158
CID 175273158
osmium(2+);quinoline
CID 158407120
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187

Frequently Asked Questions

What is the IUPAC name of CID 87967042?
The IUPAC name of CID 87967042 (CID 87967042) is not available.
What is the SMILES notation for CID 87967042?
The canonical SMILES for CID 87967042 is [Se]c1ccc2ncccc2c1.
What is the InChIKey of CID 87967042?
The InChIKey is PJBBYWFQFHUDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6NSe/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-6H.
What are the key properties of CID 87967042?
CID 87967042 has a molecular weight of 207.11 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87967042 is sourced from PubChem (CID 87967042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).