calcium;5-chloroquinolin-8-ol;hydride

C9H8CaClNO — CID 174353815

IUPACcalcium;5-chloroquinolin-8-ol;hydride
SMILESOc1ccc(Cl)c2cccnc12.[Ca+2].[H-].[H-]
InChIInChI=1S/C9H6ClNO.Ca.2H/c10-7-3-4-8(12)9-6(7)2-1-5-11-9;;;/h1-5,12H;;;/q;+2;2*-1
InChIKeyNUNDYVBGJJLZMM-UHFFFAOYSA-N
MW221.70 g/mol
LogP2.44
Rot. Bonds

About calcium;5-chloroquinolin-8-ol;hydride

calcium;5-chloroquinolin-8-ol;hydride (PubChem CID 174353815) has the molecular formula C9H8CaClNO and a molecular weight of 221.70 g/mol. Its IUPAC name is calcium;5-chloroquinolin-8-ol;hydride.

Molecular Properties

Compound Namecalcium;5-chloroquinolin-8-ol;hydride
PubChem CID174353815
Molecular FormulaC9H8CaClNO
Molecular Weight221.70 g/mol
Exact Mass220.99
IUPAC Namecalcium;5-chloroquinolin-8-ol;hydride
SMILESOc1ccc(Cl)c2cccnc12.[Ca+2].[H-].[H-]
InChIInChI=1S/C9H6ClNO.Ca.2H/c10-7-3-4-8(12)9-6(7)2-1-5-11-9;;;/h1-5,12H;;;/q;+2;2*-1
InChIKeyNUNDYVBGJJLZMM-UHFFFAOYSA-N
XLogP2.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.70
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of calcium;5-chloroquinolin-8-ol;hydride?
The IUPAC name of calcium;5-chloroquinolin-8-ol;hydride (CID 174353815) is calcium;5-chloroquinolin-8-ol;hydride.
What is the SMILES notation for calcium;5-chloroquinolin-8-ol;hydride?
The canonical SMILES for calcium;5-chloroquinolin-8-ol;hydride is Oc1ccc(Cl)c2cccnc12.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;5-chloroquinolin-8-ol;hydride?
The InChIKey is NUNDYVBGJJLZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO.Ca.2H/c10-7-3-4-8(12)9-6(7)2-1-5-11-9;;;/h1-5,12H;;;/q;+2;2*-1.
What are the key properties of calcium;5-chloroquinolin-8-ol;hydride?
calcium;5-chloroquinolin-8-ol;hydride has a molecular weight of 221.70 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;5-chloroquinolin-8-ol;hydride is sourced from PubChem (CID 174353815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).