3-fluoro-4-(trideuteriomethyl)pyridine

C6H6FN — CID 164664231

IUPAC3-fluoro-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccncc1F
InChIInChI=1S/C6H6FN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3/i1D3
InChIKeyWZMOEPZZTTWDIA-FIBGUPNXSA-N
MW114.14 g/mol
LogP1.53
Rot. Bonds1

About 3-fluoro-4-(trideuteriomethyl)pyridine

3-fluoro-4-(trideuteriomethyl)pyridine (PubChem CID 164664231) has the molecular formula C6H6FN and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-fluoro-4-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name3-fluoro-4-(trideuteriomethyl)pyridine
PubChem CID164664231
Molecular FormulaC6H6FN
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-fluoro-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccncc1F
InChIInChI=1S/C6H6FN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3/i1D3
InChIKeyWZMOEPZZTTWDIA-FIBGUPNXSA-N
XLogP1.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene
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3-(2-fluorophenyl)-4-methylpyridine
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3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine
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[(3-fluoro-4-pyridinyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105258630
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1-(3-fluoro-4-pyridinyl)ethanethiol
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4-methyl-3-methylsulfanylpyridine
CID 21345785
3-fluoro-4-(fluoromethyl)pyridine
CID 105427398
3-bromo-4-fluoropyridine;ethane
CID 144770242
N,N-diethyl-3-fluoropyridin-4-amine
CID 91326700
7-fluoro-6-methylisoquinoline
CID 21300598

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(trideuteriomethyl)pyridine?
The IUPAC name of 3-fluoro-4-(trideuteriomethyl)pyridine (CID 164664231) is 3-fluoro-4-(trideuteriomethyl)pyridine.
What is the SMILES notation for 3-fluoro-4-(trideuteriomethyl)pyridine?
The canonical SMILES for 3-fluoro-4-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1ccncc1F.
What is the InChIKey of 3-fluoro-4-(trideuteriomethyl)pyridine?
The InChIKey is WZMOEPZZTTWDIA-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H6FN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3/i1D3.
What are the key properties of 3-fluoro-4-(trideuteriomethyl)pyridine?
3-fluoro-4-(trideuteriomethyl)pyridine has a molecular weight of 114.14 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(trideuteriomethyl)pyridine is sourced from PubChem (CID 164664231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).