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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Related Compounds

Glu-P 2
CID 49970
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
2-(2'-Pyridyl)benzimidazole
CID 70821
5H-Pyrrolo(3,2-d)pyrimidin-4-amine
CID 5287565
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634
Imidazo(4,5-b)pyridine
CID 67504
6-Bromo-4-azabenzimidazole
CID 911578
2-(1H-imidazol-2-yl)pyridine
CID 589313
3H-Imidazo(4,5-b)pyridine, 6-bromo-5-methyl-
CID 5310884
2-(pyridin-2-yl)-1H-benzo(d)imidazol-5-amine
CID 542828
2-(pyridin-2-yl)-1H-imidazo(4,5-c)pyridine
CID 947740

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).