CID 147920792

C7H6AlClN2O2 — CID 147920792

IUPAC—
SMILESCOC(=O)c1nc([Al])cc(N)c1Cl
InChIInChI=1S/C7H6ClN2O2.Al/c1-12-7(11)6-5(8)4(9)2-3-10-6;/h2H,1H3,(H2,9,10);
InChIKeyGAZITSXEKFIJDK-UHFFFAOYSA-N
MW212.57 g/mol
LogP-0.10
Rot. Bonds1

About CID 147920792

CID 147920792 (PubChem CID 147920792) has the molecular formula C7H6AlClN2O2 and a molecular weight of 212.57 g/mol.

Molecular Properties

Compound NameCID 147920792
PubChem CID147920792
Molecular FormulaC7H6AlClN2O2
Molecular Weight212.57 g/mol
Exact Mass211.99
IUPAC Name—
SMILESCOC(=O)c1nc([Al])cc(N)c1Cl
InChIInChI=1S/C7H6ClN2O2.Al/c1-12-7(11)6-5(8)4(9)2-3-10-6;/h2H,1H3,(H2,9,10);
InChIKeyGAZITSXEKFIJDK-UHFFFAOYSA-N
XLogP-0.10
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.57
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 147920792?
The IUPAC name of CID 147920792 (CID 147920792) is not available.
What is the SMILES notation for CID 147920792?
The canonical SMILES for CID 147920792 is COC(=O)c1nc([Al])cc(N)c1Cl.
What is the InChIKey of CID 147920792?
The InChIKey is GAZITSXEKFIJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN2O2.Al/c1-12-7(11)6-5(8)4(9)2-3-10-6;/h2H,1H3,(H2,9,10);.
What are the key properties of CID 147920792?
CID 147920792 has a molecular weight of 212.57 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147920792 is sourced from PubChem (CID 147920792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).