1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol

C9H12N2O — CID 143164926

IUPAC1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol
SMILESCC(O)C1=CNC2NC=CC2=C1
InChIInChI=1S/C9H12N2O/c1-6(12)8-4-7-2-3-10-9(7)11-5-8/h2-6,9-12H,1H3
InChIKeyZEKXUEZZJLZSHI-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.22
Rot. Bonds1

About 1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol

1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol (PubChem CID 143164926) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol.

Molecular Properties

Compound Name1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol
PubChem CID143164926
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol
SMILESCC(O)C1=CNC2NC=CC2=C1
InChIInChI=1S/C9H12N2O/c1-6(12)8-4-7-2-3-10-9(7)11-5-8/h2-6,9-12H,1H3
InChIKeyZEKXUEZZJLZSHI-UHFFFAOYSA-N
XLogP0.22
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylamino)-1H-pyridin-2-yl]ethanol
CID 70097916
1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol
CID 90703707
CID 141811207
CID 141811207
5,6-dihydro-1H-indol-6-ol
CID 146437312
[2-(Dimethylamino)-1,2-dihydropyridin-5-yl]methanol
CID 86341148
(1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol
CID 86341206
(1R)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol
CID 86341207

Frequently Asked Questions

What is the IUPAC name of 1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol?
The IUPAC name of 1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol (CID 143164926) is 1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol.
What is the SMILES notation for 1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol?
The canonical SMILES for 1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol is CC(O)C1=CNC2NC=CC2=C1.
What is the InChIKey of 1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol?
The InChIKey is ZEKXUEZZJLZSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6(12)8-4-7-2-3-10-9(7)11-5-8/h2-6,9-12H,1H3.
What are the key properties of 1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol?
1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol has a molecular weight of 164.21 g/mol, XLogP of 0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol is sourced from PubChem (CID 143164926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).