4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine

C6H6N4O — CID 135779039

IUPAC4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine
SMILES[H]/N=c1\ccn(O)c2nc[nH]c12
InChIInChI=1S/C6H6N4O/c7-4-1-2-10(11)6-5(4)8-3-9-6/h1-3,7,11H,(H,8,9)/b7-4+
InChIKeyRTWNGWHVRZLEJG-QPJJXVBHSA-N
MW150.14 g/mol
LogP0.08
Rot. Bonds

About 4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine

4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine (PubChem CID 135779039) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine.

Molecular Properties

Compound Name4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine
PubChem CID135779039
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine
SMILES[H]/N=c1\ccn(O)c2nc[nH]c12
InChIInChI=1S/C6H6N4O/c7-4-1-2-10(11)6-5(4)8-3-9-6/h1-3,7,11H,(H,8,9)/b7-4+
InChIKeyRTWNGWHVRZLEJG-QPJJXVBHSA-N
XLogP0.08
TPSA77.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-7H-purin-6-imine
CID 136992972
(2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol
CID 135839799
3-[(2-methylphenyl)methyl]-7H-purin-6-imine
CID 135435061
1-ethyl-6-imino-3-methyl-7H-purin-2-one
CID 137197584
trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol
CID 136679568
3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol
CID 141391153
3-(cyclohexylmethyl)-7H-purin-6-imine
CID 135435073
3-(quinolin-2-ylmethyl)-7H-purin-6-imine
CID 138740765
3-[(3,5-dibromo-4-pyridinyl)methyl]-7H-purin-6-imine
CID 139308666
2-hydroxy-3-(6-imino-7H-purin-1-yl)propanoic acid
CID 136704244
1-(trideuterio(113C)methyl)-7H-purin-6-imine
CID 169443101
1-(4-benzhydrylpiperazin-1-yl)-3-(6-imino-7H-purin-3-yl)propan-2-ol
CID 135671347

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine?
The IUPAC name of 4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine (CID 135779039) is 4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine.
What is the SMILES notation for 4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine?
The canonical SMILES for 4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine is [H]/N=c1\ccn(O)c2nc[nH]c12.
What is the InChIKey of 4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine?
The InChIKey is RTWNGWHVRZLEJG-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H6N4O/c7-4-1-2-10(11)6-5(4)8-3-9-6/h1-3,7,11H,(H,8,9)/b7-4+.
What are the key properties of 4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine?
4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine has a molecular weight of 150.14 g/mol, XLogP of 0.08, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1H-imidazo[4,5-b]pyridin-7-imine is sourced from PubChem (CID 135779039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).