4-deuterio-2,6-bis(trifluoromethyl)pyridine

C7H3F6N — CID 175919403

IUPAC4-deuterio-2,6-bis(trifluoromethyl)pyridine
SMILES[2H]c1cc(C(F)(F)F)nc(C(F)(F)F)c1
InChIInChI=1S/C7H3F6N/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13/h1-3H/i1D
InChIKeyYPDVFTXBESQIPJ-MICDWDOJSA-N
MW216.10 g/mol
LogP3.12
Rot. Bonds

About 4-deuterio-2,6-bis(trifluoromethyl)pyridine

4-deuterio-2,6-bis(trifluoromethyl)pyridine (PubChem CID 175919403) has the molecular formula C7H3F6N and a molecular weight of 216.10 g/mol. Its IUPAC name is 4-deuterio-2,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-deuterio-2,6-bis(trifluoromethyl)pyridine
PubChem CID175919403
Molecular FormulaC7H3F6N
Molecular Weight216.10 g/mol
Exact Mass216.02
IUPAC Name4-deuterio-2,6-bis(trifluoromethyl)pyridine
SMILES[2H]c1cc(C(F)(F)F)nc(C(F)(F)F)c1
InChIInChI=1S/C7H3F6N/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13/h1-3H/i1D
InChIKeyYPDVFTXBESQIPJ-MICDWDOJSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-deuterio-2-ethoxy-6-(trifluoromethyl)pyridine
CID 175830368
5-deuterio-2-(trifluoromethyl)pyridine
CID 142788130
4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
CID 132551111
2,4,6-tris(trifluoromethyl)pyridine
CID 14937918
2-fluoro-3,6-bis(trifluoromethyl)pyridine
CID 133095208
2,6-bis(trifluoromethyl)pyridin-3-amine
CID 131531494
2-fluoro-3-methyl-6-(trifluoromethyl)pyridine
CID 130253491
ethane;2-methyl-6-(trifluoromethyl)pyridine
CID 144746626
4-(trifluoromethyl)pyrimidin-2-olate
CID 42553718
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426
2-methyl-4-(trifluoromethyl)pyrimidin-1-ium
CID 123754091

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-2,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 4-deuterio-2,6-bis(trifluoromethyl)pyridine (CID 175919403) is 4-deuterio-2,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 4-deuterio-2,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 4-deuterio-2,6-bis(trifluoromethyl)pyridine is [2H]c1cc(C(F)(F)F)nc(C(F)(F)F)c1.
What is the InChIKey of 4-deuterio-2,6-bis(trifluoromethyl)pyridine?
The InChIKey is YPDVFTXBESQIPJ-MICDWDOJSA-N. The full InChI is InChI=1S/C7H3F6N/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13/h1-3H/i1D.
What are the key properties of 4-deuterio-2,6-bis(trifluoromethyl)pyridine?
4-deuterio-2,6-bis(trifluoromethyl)pyridine has a molecular weight of 216.10 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-2,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 175919403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).