magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate

C18H13MgN3O+2 — CID 18684208

IUPACmagnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate
SMILES[Mg+2].[O-]c1ccccc1-c1[nH+]c2cccnc2n1-c1ccccc1
InChIInChI=1S/C18H13N3O.Mg/c22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;/h1-12,22H;/q;+2
InChIKeyBHZJKMIXCLVMKT-UHFFFAOYSA-N
MW311.63 g/mol
LogP2.20
Rot. Bonds2

About magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate

magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate (PubChem CID 18684208) has the molecular formula C18H13MgN3O+2 and a molecular weight of 311.63 g/mol. Its IUPAC name is magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate.

Molecular Properties

Compound Namemagnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate
PubChem CID18684208
Molecular FormulaC18H13MgN3O+2
Molecular Weight311.63 g/mol
Exact Mass311.09
IUPAC Namemagnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate
SMILES[Mg+2].[O-]c1ccccc1-c1[nH+]c2cccnc2n1-c1ccccc1
InChIInChI=1S/C18H13N3O.Mg/c22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;/h1-12,22H;/q;+2
InChIKeyBHZJKMIXCLVMKT-UHFFFAOYSA-N
XLogP2.20
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.63
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Hydroxyphenyl)-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
CID 44546231
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538766
3-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 6538769
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11
CID 135434951
N-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyphenyl)quinazolin-4-amine
CID 3234262
2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-phenyl-1H-imidazo[4,5-b]pyridine
CID 10149857
2-(2-Butoxy-phenyl)-3H-imidazo[4,5-b]pyridine
CID 10423102
EAPB-0503 metabolite M'5
CID 44224744
3-[(2-Methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
CID 126720389
N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-[6-(2-hydroxy-phenyl)-pyridin-3-ylmethyl]-9H-purine-2,6-diamine
CID 136219283
2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619931

Frequently Asked Questions

What is the IUPAC name of magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate?
The IUPAC name of magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate (CID 18684208) is magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate.
What is the SMILES notation for magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate?
The canonical SMILES for magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate is [Mg+2].[O-]c1ccccc1-c1[nH+]c2cccnc2n1-c1ccccc1.
What is the InChIKey of magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate?
The InChIKey is BHZJKMIXCLVMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O.Mg/c22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;/h1-12,22H;/q;+2.
What are the key properties of magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate?
magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate has a molecular weight of 311.63 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate is sourced from PubChem (CID 18684208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).