3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine

C8H8N2 — CID 101366417

IUPAC3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1c[nH]c2ncccc12
InChIInChI=1S/C8H8N2/c1-6-5-10-8-7(6)3-2-4-9-8/h2-5H,1H3,(H,9,10)/i1D3
InChIKeyPKZDPOGLGBWEGP-FIBGUPNXSA-N
MW135.18 g/mol
LogP1.87
Rot. Bonds1

About 3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine

3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 101366417) has the molecular formula C8H8N2 and a molecular weight of 135.18 g/mol. Its IUPAC name is 3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID101366417
Molecular FormulaC8H8N2
Molecular Weight135.18 g/mol
Exact Mass135.09
IUPAC Name3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1c[nH]c2ncccc12
InChIInChI=1S/C8H8N2/c1-6-5-10-8-7(6)3-2-4-9-8/h2-5H,1H3,(H,9,10)/i1D3
InChIKeyPKZDPOGLGBWEGP-FIBGUPNXSA-N
XLogP1.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
N-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 141065993
3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 11586410
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
CID 89301473
CID 89301473
3-(1-methyl-2,5-dihydropyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58349740
3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 143384633
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58172476
N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 58087275
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589

Frequently Asked Questions

What is the IUPAC name of 3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine (CID 101366417) is 3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine is [2H]C([2H])([2H])c1c[nH]c2ncccc12.
What is the InChIKey of 3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PKZDPOGLGBWEGP-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-5-10-8-7(6)3-2-4-9-8/h2-5H,1H3,(H,9,10)/i1D3.
What are the key properties of 3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine?
3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 135.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 101366417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).