calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine

C7H9CaN3O — CID 174521713

IUPACcalcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1nc2ncccc2[nH]1.[Ca+2].[H-].[H-]
InChIInChI=1S/C7H7N3O.Ca.2H/c1-11-7-9-5-3-2-4-8-6(5)10-7;;;/h2-4H,1H3,(H,8,9,10);;;/q;+2;2*-1
InChIKeyBQCPDWYFZHKOCN-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.81
Rot. Bonds1

About calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine

calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 174521713) has the molecular formula C7H9CaN3O and a molecular weight of 191.25 g/mol. Its IUPAC name is calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Namecalcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine
PubChem CID174521713
Molecular FormulaC7H9CaN3O
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Namecalcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1nc2ncccc2[nH]1.[Ca+2].[H-].[H-]
InChIInChI=1S/C7H7N3O.Ca.2H/c1-11-7-9-5-3-2-4-8-6(5)10-7;;;/h2-4H,1H3,(H,8,9,10);;;/q;+2;2*-1
InChIKeyBQCPDWYFZHKOCN-UHFFFAOYSA-N
XLogP0.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine (CID 174521713) is calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine is COc1nc2ncccc2[nH]1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is BQCPDWYFZHKOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.Ca.2H/c1-11-7-9-5-3-2-4-8-6(5)10-7;;;/h2-4H,1H3,(H,8,9,10);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine?
calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 191.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 174521713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).