2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol

C10H12N2O — CID 70347094

IUPAC2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol
SMILESCc1c(CCO)[nH]c2ncccc12
InChIInChI=1S/C10H12N2O/c1-7-8-3-2-5-11-10(8)12-9(7)4-6-13/h2-3,5,13H,4,6H2,1H3,(H,11,12)
InChIKeyHZZRXHWHUNEHCG-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.41
Rot. Bonds2

About 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol

2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol (PubChem CID 70347094) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol
PubChem CID70347094
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol
SMILESCc1c(CCO)[nH]c2ncccc12
InChIInChI=1S/C10H12N2O/c1-7-8-3-2-5-11-10(8)12-9(7)4-6-13/h2-3,5,13H,4,6H2,1H3,(H,11,12)
InChIKeyHZZRXHWHUNEHCG-UHFFFAOYSA-N
XLogP1.41
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol?
The IUPAC name of 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol (CID 70347094) is 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol.
What is the SMILES notation for 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol?
The canonical SMILES for 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol is Cc1c(CCO)[nH]c2ncccc12.
What is the InChIKey of 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol?
The InChIKey is HZZRXHWHUNEHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-8-3-2-5-11-10(8)12-9(7)4-6-13/h2-3,5,13H,4,6H2,1H3,(H,11,12).
What are the key properties of 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol?
2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol has a molecular weight of 176.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol is sourced from PubChem (CID 70347094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).