3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine

C10H12N2 — CID 71316176

IUPAC3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine
SMILES[2H]C([2H])([2H])N1CCC=C1c1cccnc1
InChIInChI=1S/C10H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4-6,8H,3,7H2,1H3/i1D3
InChIKeyTVKHGXPZBZKXFM-FIBGUPNXSA-N
MW163.24 g/mol
LogP1.76
Rot. Bonds2

About 3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine

3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine (PubChem CID 71316176) has the molecular formula C10H12N2 and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine.

Molecular Properties

Compound Name3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine
PubChem CID71316176
Molecular FormulaC10H12N2
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine
SMILES[2H]C([2H])([2H])N1CCC=C1c1cccnc1
InChIInChI=1S/C10H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4-6,8H,3,7H2,1H3/i1D3
InChIKeyTVKHGXPZBZKXFM-FIBGUPNXSA-N
XLogP1.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]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

bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
cyclopenta[c]azepine
CID 638010
3-azulen-6-ylpyridine
CID 86232079
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
3-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)pyridine
CID 10942960
3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine
CID 169444700
3-(1-methylpyrrol-2-yl)pyridine
CID 10249
3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine
CID 22758233
(4-pyridin-3-ylnaphthalen-1-yl)boronic acid
CID 141400431
3-(2-methyl-1H-diazet-3-yl)pyridine
CID 144904060
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 11602342

Frequently Asked Questions

What is the IUPAC name of 3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine?
The IUPAC name of 3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine (CID 71316176) is 3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine.
What is the SMILES notation for 3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine?
The canonical SMILES for 3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine is [2H]C([2H])([2H])N1CCC=C1c1cccnc1.
What is the InChIKey of 3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine?
The InChIKey is TVKHGXPZBZKXFM-FIBGUPNXSA-N. The full InChI is InChI=1S/C10H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4-6,8H,3,7H2,1H3/i1D3.
What are the key properties of 3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine?
3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine has a molecular weight of 163.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(trideuteriomethyl)-2,3-dihydropyrrol-5-yl]pyridine is sourced from PubChem (CID 71316176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).