2-deuterio-4-propan-2-ylpyridine

C8H11N — CID 175918465

IUPAC2-deuterio-4-propan-2-ylpyridine
SMILES[2H]c1cc(C(C)C)ccn1
InChIInChI=1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3/i5D
InChIKeyFRGXNJWEDDQLFH-UICOGKGYSA-N
MW122.19 g/mol
LogP2.20
Rot. Bonds1

About 2-deuterio-4-propan-2-ylpyridine

2-deuterio-4-propan-2-ylpyridine (PubChem CID 175918465) has the molecular formula C8H11N and a molecular weight of 122.19 g/mol. Its IUPAC name is 2-deuterio-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-deuterio-4-propan-2-ylpyridine
PubChem CID175918465
Molecular FormulaC8H11N
Molecular Weight122.19 g/mol
Exact Mass122.10
IUPAC Name2-deuterio-4-propan-2-ylpyridine
SMILES[2H]c1cc(C(C)C)ccn1
InChIInChI=1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3/i5D
InChIKeyFRGXNJWEDDQLFH-UICOGKGYSA-N
XLogP2.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tris(4-propan-2-ylpyridine);trichlorochromium
CID 19688799
(1R)-1-pyridin-4-ylethanethiol
CID 92977193
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
dimethyl(phenyl)borane;4-propan-2-ylpyridine
CID 68614411
2-methyl-1,3-dioxolane;4-propan-2-ylpyridine
CID 167569960
ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159031608
1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine
CID 163486860
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
carbanide;ethane;methane;propan-2-ylbenzene;yttrium
CID 160657951
propan-2-ylbenzene;tungsten
CID 58901967
lithium propan-2-ylbenzene
CID 13144758

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-4-propan-2-ylpyridine?
The IUPAC name of 2-deuterio-4-propan-2-ylpyridine (CID 175918465) is 2-deuterio-4-propan-2-ylpyridine.
What is the SMILES notation for 2-deuterio-4-propan-2-ylpyridine?
The canonical SMILES for 2-deuterio-4-propan-2-ylpyridine is [2H]c1cc(C(C)C)ccn1.
What is the InChIKey of 2-deuterio-4-propan-2-ylpyridine?
The InChIKey is FRGXNJWEDDQLFH-UICOGKGYSA-N. The full InChI is InChI=1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3/i5D.
What are the key properties of 2-deuterio-4-propan-2-ylpyridine?
2-deuterio-4-propan-2-ylpyridine has a molecular weight of 122.19 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-4-propan-2-ylpyridine is sourced from PubChem (CID 175918465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).