1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine

C8H10F3N — CID 145362056

IUPAC1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine
SMILESCC1=CC=C(C(F)(F)F)N(C)C1
InChIInChI=1S/C8H10F3N/c1-6-3-4-7(8(9,10)11)12(2)5-6/h3-4H,5H2,1-2H3
InChIKeyPPCDUTNPXNFZEA-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.32
Rot. Bonds

About 1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine

1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine (PubChem CID 145362056) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine
PubChem CID145362056
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine
SMILESCC1=CC=C(C(F)(F)F)N(C)C1
InChIInChI=1S/C8H10F3N/c1-6-3-4-7(8(9,10)11)12(2)5-6/h3-4H,5H2,1-2H3
InChIKeyPPCDUTNPXNFZEA-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine (CID 145362056) is 1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine is CC1=CC=C(C(F)(F)F)N(C)C1.
What is the InChIKey of 1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine?
The InChIKey is PPCDUTNPXNFZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-6-3-4-7(8(9,10)11)12(2)5-6/h3-4H,5H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine?
1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine has a molecular weight of 177.17 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 145362056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).