(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol

Name: (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₇N₃O — CID 107862127

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol

SMILESOC[C@@H](NCc1c[nH]c2ncccc12)c1ccccc1

InChIInChI=1S/C16H17N3O/c20-11-15(12-5-2-1-3-6-12)18-9-13-10-19-16-14(13)7-4-8-17-16/h1-8,10,15,18,20H,9,11H2,(H,17,19)/t15-/m1/s1

InChIKeyFEIRLFKAKMFPBQ-OAHLLOKOSA-N

MW267.33 g/mol

LogP2.39

Rot. Bonds5

About (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol

(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol (PubChem CID 107862127) has the molecular formula C₁₆H₁₇N₃O and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name	(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol
PubChem CID	107862127
Molecular Formula	C₁₆H₁₇N₃O
Molecular Weight	267.33 g/mol
Exact Mass	267.14
IUPAC Name	(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol
SMILES	OC[C@@H](NCc1c[nH]c2ncccc12)c1ccccc1
InChI	InChI=1S/C16H17N3O/c20-11-15(12-5-2-1-3-6-12)18-9-13-10-19-16-14(13)7-4-8-17-16/h1-8,10,15,18,20H,9,11H2,(H,17,19)/t15-/m1/s1
InChIKey	FEIRLFKAKMFPBQ-OAHLLOKOSA-N
XLogP	2.39
TPSA	60.94 Å²
H-Bond Donors	3
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.33
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol?

The IUPAC name of (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol (CID 107862127) is (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol.

What is the SMILES notation for (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol?

The canonical SMILES for (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol is OC[C@@H](NCc1c[nH]c2ncccc12)c1ccccc1.

What is the InChIKey of (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol?

The InChIKey is FEIRLFKAKMFPBQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17N3O/c20-11-15(12-5-2-1-3-6-12)18-9-13-10-19-16-14(13)7-4-8-17-16/h1-8,10,15,18,20H,9,11H2,(H,17,19)/t15-/m1/s1.

What are the key properties of (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol?

(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol has a molecular weight of 267.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol is sourced from PubChem (CID 107862127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 107862127 — identifiers, structure, computed properties (public domain)

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