2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol

C8H9BrN4O — CID 66166285

IUPAC2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol
SMILESNCC(O)c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C8H9BrN4O/c9-4-1-5-7(11-3-4)13-8(12-5)6(14)2-10/h1,3,6,14H,2,10H2,(H,11,12,13)
InChIKeyWCWRDVITDLEFGF-UHFFFAOYSA-N
MW257.09 g/mol
LogP0.71
Rot. Bonds2

About 2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol

2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol (PubChem CID 66166285) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is 2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol
PubChem CID66166285
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol
SMILESNCC(O)c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C8H9BrN4O/c9-4-1-5-7(11-3-4)13-8(12-5)6(14)2-10/h1,3,6,14H,2,10H2,(H,11,12,13)
InChIKeyWCWRDVITDLEFGF-UHFFFAOYSA-N
XLogP0.71
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol?
The IUPAC name of 2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol (CID 66166285) is 2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol is NCC(O)c1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol?
The InChIKey is WCWRDVITDLEFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O/c9-4-1-5-7(11-3-4)13-8(12-5)6(14)2-10/h1,3,6,14H,2,10H2,(H,11,12,13).
What are the key properties of 2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol?
2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol has a molecular weight of 257.09 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol is sourced from PubChem (CID 66166285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).