5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol

C12H10N4O2 — CID 107704580

IUPAC5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
SMILESNc1ccc2[nH]c(-c3cc(O)cc(O)c3)nc2n1
InChIInChI=1S/C12H10N4O2/c13-10-2-1-9-12(15-10)16-11(14-9)6-3-7(17)5-8(18)4-6/h1-5,17-18H,(H3,13,14,15,16)
InChIKeyIWSWSJVQCZZGPY-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.62
Rot. Bonds1

About 5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol

5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol (PubChem CID 107704580) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
PubChem CID107704580
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
SMILESNc1ccc2[nH]c(-c3cc(O)cc(O)c3)nc2n1
InChIInChI=1S/C12H10N4O2/c13-10-2-1-9-12(15-10)16-11(14-9)6-3-7(17)5-8(18)4-6/h1-5,17-18H,(H3,13,14,15,16)
InChIKeyIWSWSJVQCZZGPY-UHFFFAOYSA-N
XLogP1.62
TPSA108.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol?
The IUPAC name of 5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol (CID 107704580) is 5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol?
The canonical SMILES for 5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol is Nc1ccc2[nH]c(-c3cc(O)cc(O)c3)nc2n1.
What is the InChIKey of 5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol?
The InChIKey is IWSWSJVQCZZGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-10-2-1-9-12(15-10)16-11(14-9)6-3-7(17)5-8(18)4-6/h1-5,17-18H,(H3,13,14,15,16).
What are the key properties of 5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol?
5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol has a molecular weight of 242.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol is sourced from PubChem (CID 107704580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).