5-deuterio-2-(trifluoromethyl)pyridine

C6H4F3N — CID 142788130

IUPAC5-deuterio-2-(trifluoromethyl)pyridine
SMILES[2H]c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C6H4F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-4H/i2D
InChIKeyATRQECRSCHYSNP-VMNATFBRSA-N
MW148.11 g/mol
LogP2.10
Rot. Bonds

About 5-deuterio-2-(trifluoromethyl)pyridine

5-deuterio-2-(trifluoromethyl)pyridine (PubChem CID 142788130) has the molecular formula C6H4F3N and a molecular weight of 148.11 g/mol. Its IUPAC name is 5-deuterio-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-deuterio-2-(trifluoromethyl)pyridine
PubChem CID142788130
Molecular FormulaC6H4F3N
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name5-deuterio-2-(trifluoromethyl)pyridine
SMILES[2H]c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C6H4F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-4H/i2D
InChIKeyATRQECRSCHYSNP-VMNATFBRSA-N
XLogP2.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-deuterio-2,6-bis(trifluoromethyl)pyridine
CID 175919403
methanimidamide;2-(trifluoromethyl)pyridine
CID 175495104
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CID 175305816
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549
fluoro(pyridin-2-yl)methanediamine
CID 67406744
benzaldehyde;pyridine;2-(trifluoromethyl)pyridine
CID 87327506
4-fluoro-2-(trifluoromethyl)pyridine
CID 44891496
difluoro(pyridin-2-yl)methanamine
CID 83854913
4-deuterio-2-ethoxy-6-(trifluoromethyl)pyridine
CID 175830368
5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine
CID 175830369
2-(trifluoromethyl)pyridin-4-amine
CID 10261388
5-pyrrol-1-yl-2-(trifluoromethyl)pyridine
CID 82816701

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-deuterio-2-(trifluoromethyl)pyridine (CID 142788130) is 5-deuterio-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-deuterio-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-deuterio-2-(trifluoromethyl)pyridine is [2H]c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-deuterio-2-(trifluoromethyl)pyridine?
The InChIKey is ATRQECRSCHYSNP-VMNATFBRSA-N. The full InChI is InChI=1S/C6H4F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-4H/i2D.
What are the key properties of 5-deuterio-2-(trifluoromethyl)pyridine?
5-deuterio-2-(trifluoromethyl)pyridine has a molecular weight of 148.11 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 142788130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).