CID 58803467

C11H8AlNO — CID 58803467

IUPAC—
SMILES[Al]Oc1ccccc1-c1ccccn1
InChIInChI=1S/C11H9NO.Al/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-8,13H;/q;+1/p-1
InChIKeyCHPLNTFQNVYBPT-UHFFFAOYSA-M
MW197.17 g/mol
LogP2.21
Rot. Bonds2

About CID 58803467

CID 58803467 (PubChem CID 58803467) has the molecular formula C11H8AlNO and a molecular weight of 197.17 g/mol.

Molecular Properties

Compound NameCID 58803467
PubChem CID58803467
Molecular FormulaC11H8AlNO
Molecular Weight197.17 g/mol
Exact Mass197.04
IUPAC Name—
SMILES[Al]Oc1ccccc1-c1ccccn1
InChIInChI=1S/C11H9NO.Al/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-8,13H;/q;+1/p-1
InChIKeyCHPLNTFQNVYBPT-UHFFFAOYSA-M
XLogP2.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile
CID 124674566
3-pyridin-2-yl-2-[(3-pyridin-2-yl-2-pyridinyl)disulfanyl]pyridine
CID 141048540
CID 58803428
CID 58803428
2-[2-[2-(2-pyridin-2-ylphenyl)ethenyl]phenyl]pyridine
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Frequently Asked Questions

What is the IUPAC name of CID 58803467?
The IUPAC name of CID 58803467 (CID 58803467) is not available.
What is the SMILES notation for CID 58803467?
The canonical SMILES for CID 58803467 is [Al]Oc1ccccc1-c1ccccn1.
What is the InChIKey of CID 58803467?
The InChIKey is CHPLNTFQNVYBPT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO.Al/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-8,13H;/q;+1/p-1.
What are the key properties of CID 58803467?
CID 58803467 has a molecular weight of 197.17 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58803467 is sourced from PubChem (CID 58803467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).