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

C9H11N3O — CID 76847412

IUPAC2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol
SMILESNC(CO)c1ccc2[nH]ccc2n1
InChIInChI=1S/C9H11N3O/c10-6(5-13)7-1-2-8-9(12-7)3-4-11-8/h1-4,6,11,13H,5,10H2
InChIKeyWATWRBDFANKFSH-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.56
Rot. Bonds2

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

2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol (PubChem CID 76847412) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol
PubChem CID76847412
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol
SMILESNC(CO)c1ccc2[nH]ccc2n1
InChIInChI=1S/C9H11N3O/c10-6(5-13)7-1-2-8-9(12-7)3-4-11-8/h1-4,6,11,13H,5,10H2
InChIKeyWATWRBDFANKFSH-UHFFFAOYSA-N
XLogP0.56
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine
CID 126969515
(2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine
CID 130927222
(2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol
CID 130618210
2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol
CID 88634659
1H-pyrrolo[3,2-b]pyridin-5-ylthiourea
CID 169004095
2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
CID 121347573
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
3-amino-3-(1H-indol-5-yl)propan-1-ol
CID 55273219
N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanamine
CID 11542860
(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol
CID 175632849
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol?
The IUPAC name of 2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol (CID 76847412) is 2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol is NC(CO)c1ccc2[nH]ccc2n1.
What is the InChIKey of 2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol?
The InChIKey is WATWRBDFANKFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-6(5-13)7-1-2-8-9(12-7)3-4-11-8/h1-4,6,11,13H,5,10H2.
What are the key properties of 2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol?
2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol has a molecular weight of 177.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol is sourced from PubChem (CID 76847412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).