2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol

C13H11N3O3 — CID 136903811

IUPAC2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol
SMILESCOc1ccc2[nH]c(-c3cc(O)ccc3O)nc2n1
InChIInChI=1S/C13H11N3O3/c1-19-11-5-3-9-13(15-11)16-12(14-9)8-6-7(17)2-4-10(8)18/h2-6,17-18H,1H3,(H,14,15,16)
InChIKeyNCPCRZPRGHYEOJ-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.04
Rot. Bonds2

About 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol

2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol (PubChem CID 136903811) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol
PubChem CID136903811
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol
SMILESCOc1ccc2[nH]c(-c3cc(O)ccc3O)nc2n1
InChIInChI=1S/C13H11N3O3/c1-19-11-5-3-9-13(15-11)16-12(14-9)8-6-7(17)2-4-10(8)18/h2-6,17-18H,1H3,(H,14,15,16)
InChIKeyNCPCRZPRGHYEOJ-UHFFFAOYSA-N
XLogP2.04
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol
CID 136750901
5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704555
2-(2,5-dichlorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65482699
2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 70461397
2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65483476
3-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyridin-4-one
CID 136812536
2-[2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine
CID 65484218
6-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)quinoxaline
CID 65483661
4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid
CID 167974159
2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 115999492
4-chloro-3-[5-(dimethylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenol
CID 106502361
2-(3-chloro-4-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 82879286

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol?
The IUPAC name of 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol (CID 136903811) is 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol is COc1ccc2[nH]c(-c3cc(O)ccc3O)nc2n1.
What is the InChIKey of 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol?
The InChIKey is NCPCRZPRGHYEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-19-11-5-3-9-13(15-11)16-12(14-9)8-6-7(17)2-4-10(8)18/h2-6,17-18H,1H3,(H,14,15,16).
What are the key properties of 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol?
2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol has a molecular weight of 257.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol is sourced from PubChem (CID 136903811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).