2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol

C14H12Cl2N4O — CID 90644766

IUPAC2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol
SMILESNc1nc2cccnc2n1CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N4O/c15-9-4-1-3-8(12(9)16)11(21)7-20-13-10(19-14(20)17)5-2-6-18-13/h1-6,11,21H,7H2,(H2,17,19)
InChIKeyIKURNPPRPBOJIH-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.05
Rot. Bonds3

About 2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol

2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol (PubChem CID 90644766) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol
PubChem CID90644766
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol
SMILESNc1nc2cccnc2n1CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N4O/c15-9-4-1-3-8(12(9)16)11(21)7-20-13-10(19-14(20)17)5-2-6-18-13/h1-6,11,21H,7H2,(H2,17,19)
InChIKeyIKURNPPRPBOJIH-UHFFFAOYSA-N
XLogP3.05
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol?
The IUPAC name of 2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol (CID 90644766) is 2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol?
The canonical SMILES for 2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol is Nc1nc2cccnc2n1CC(O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol?
The InChIKey is IKURNPPRPBOJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c15-9-4-1-3-8(12(9)16)11(21)7-20-13-10(19-14(20)17)5-2-6-18-13/h1-6,11,21H,7H2,(H2,17,19).
What are the key properties of 2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol?
2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol has a molecular weight of 323.18 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoimidazo[4,5-b]pyridin-3-yl)-1-(2,3-dichlorophenyl)ethanol is sourced from PubChem (CID 90644766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).