2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol

C13H12N4O — CID 80741043

IUPAC2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
SMILESNc1ccc2[nH]c(Cc3ccccc3O)nc2n1
InChIInChI=1S/C13H12N4O/c14-11-6-5-9-13(16-11)17-12(15-9)7-8-3-1-2-4-10(8)18/h1-6,18H,7H2,(H3,14,15,16,17)
InChIKeyZTYOIWNCMLETKU-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.84
Rot. Bonds2

About 2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol

2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol (PubChem CID 80741043) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
PubChem CID80741043
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
SMILESNc1ccc2[nH]c(Cc3ccccc3O)nc2n1
InChIInChI=1S/C13H12N4O/c14-11-6-5-9-13(16-11)17-12(15-9)7-8-3-1-2-4-10(8)18/h1-6,18H,7H2,(H3,14,15,16,17)
InChIKeyZTYOIWNCMLETKU-UHFFFAOYSA-N
XLogP1.84
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The IUPAC name of 2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol (CID 80741043) is 2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol.
What is the SMILES notation for 2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The canonical SMILES for 2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol is Nc1ccc2[nH]c(Cc3ccccc3O)nc2n1.
What is the InChIKey of 2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The InChIKey is ZTYOIWNCMLETKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-11-6-5-9-13(16-11)17-12(15-9)7-8-3-1-2-4-10(8)18/h1-6,18H,7H2,(H3,14,15,16,17).
What are the key properties of 2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol?
2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol has a molecular weight of 240.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol is sourced from PubChem (CID 80741043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).