CID 174617508

C15H10AlN — CID 174617508

IUPAC
SMILES[Al]c1ccc(-c2ccccc2)c2cccnc12
InChIInChI=1S/C15H10N.Al/c1-2-6-12(7-3-1)13-8-4-10-15-14(13)9-5-11-16-15;/h1-9,11H;
InChIKeyWMQJFJYQNSENBC-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.70
Rot. Bonds1

About CID 174617508

CID 174617508 (PubChem CID 174617508) has the molecular formula C15H10AlN and a molecular weight of 231.23 g/mol.

Molecular Properties

Compound NameCID 174617508
PubChem CID174617508
Molecular FormulaC15H10AlN
Molecular Weight231.23 g/mol
Exact Mass231.06
IUPAC Name
SMILES[Al]c1ccc(-c2ccccc2)c2cccnc12
InChIInChI=1S/C15H10N.Al/c1-2-6-12(7-3-1)13-8-4-10-15-14(13)9-5-11-16-15;/h1-9,11H;
InChIKeyWMQJFJYQNSENBC-UHFFFAOYSA-N
XLogP2.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 174617508?
The IUPAC name of CID 174617508 (CID 174617508) is not available.
What is the SMILES notation for CID 174617508?
The canonical SMILES for CID 174617508 is [Al]c1ccc(-c2ccccc2)c2cccnc12.
What is the InChIKey of CID 174617508?
The InChIKey is WMQJFJYQNSENBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N.Al/c1-2-6-12(7-3-1)13-8-4-10-15-14(13)9-5-11-16-15;/h1-9,11H;.
What are the key properties of CID 174617508?
CID 174617508 has a molecular weight of 231.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174617508 is sourced from PubChem (CID 174617508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).