1-methyl-3-(trifluoromethyl)-4H-pyridine

C7H8F3N — CID 102267785

IUPAC1-methyl-3-(trifluoromethyl)-4H-pyridine
SMILESCN1C=CCC(C(F)(F)F)=C1
InChIInChI=1S/C7H8F3N/c1-11-4-2-3-6(5-11)7(8,9)10/h2,4-5H,3H2,1H3
InChIKeyIZOSVXANOOWNPA-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.28
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-4H-pyridine

1-methyl-3-(trifluoromethyl)-4H-pyridine (PubChem CID 102267785) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-4H-pyridine.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-4H-pyridine
PubChem CID102267785
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name1-methyl-3-(trifluoromethyl)-4H-pyridine
SMILESCN1C=CCC(C(F)(F)F)=C1
InChIInChI=1S/C7H8F3N/c1-11-4-2-3-6(5-11)7(8,9)10/h2,4-5H,3H2,1H3
InChIKeyIZOSVXANOOWNPA-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-4H-pyridine?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-4H-pyridine (CID 102267785) is 1-methyl-3-(trifluoromethyl)-4H-pyridine.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-4H-pyridine?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-4H-pyridine is CN1C=CCC(C(F)(F)F)=C1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-4H-pyridine?
The InChIKey is IZOSVXANOOWNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-11-4-2-3-6(5-11)7(8,9)10/h2,4-5H,3H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-4H-pyridine?
1-methyl-3-(trifluoromethyl)-4H-pyridine has a molecular weight of 163.14 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-4H-pyridine is sourced from PubChem (CID 102267785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).