2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol

C13H13N3O2 — CID 117160032

IUPAC2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
SMILESOCCc1nc2cccnc2n1Cc1ccco1
InChIInChI=1S/C13H13N3O2/c17-7-5-12-15-11-4-1-6-14-13(11)16(12)9-10-3-2-8-18-10/h1-4,6,8,17H,5,7,9H2
InChIKeyACDONEZDFKYNHO-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.61
Rot. Bonds4

About 2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol

2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol (PubChem CID 117160032) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
PubChem CID117160032
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
SMILESOCCc1nc2cccnc2n1Cc1ccco1
InChIInChI=1S/C13H13N3O2/c17-7-5-12-15-11-4-1-6-14-13(11)16(12)9-10-3-2-8-18-10/h1-4,6,8,17H,5,7,9H2
InChIKeyACDONEZDFKYNHO-UHFFFAOYSA-N
XLogP1.61
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol?
The IUPAC name of 2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol (CID 117160032) is 2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol is OCCc1nc2cccnc2n1Cc1ccco1.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol?
The InChIKey is ACDONEZDFKYNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-7-5-12-15-11-4-1-6-14-13(11)16(12)9-10-3-2-8-18-10/h1-4,6,8,17H,5,7,9H2.
What are the key properties of 2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol?
2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol has a molecular weight of 243.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol is sourced from PubChem (CID 117160032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).