3-methyl-5-(trifluoromethyl)-4H-pyridine

C7H6F3N — CID 162540702

IUPAC3-methyl-5-(trifluoromethyl)-4H-pyridine
SMILESCC1=CN=C=C(C(F)(F)F)C1
InChIInChI=1S/C7H6F3N/c1-5-2-6(4-11-3-5)7(8,9)10/h3H,2H2,1H3
InChIKeyNDNIPBLFIJEPIR-UHFFFAOYSA-N
MW161.13 g/mol
LogP2.45
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-4H-pyridine

3-methyl-5-(trifluoromethyl)-4H-pyridine (PubChem CID 162540702) has the molecular formula C7H6F3N and a molecular weight of 161.13 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-4H-pyridine.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-4H-pyridine
PubChem CID162540702
Molecular FormulaC7H6F3N
Molecular Weight161.13 g/mol
Exact Mass161.05
IUPAC Name3-methyl-5-(trifluoromethyl)-4H-pyridine
SMILESCC1=CN=C=C(C(F)(F)F)C1
InChIInChI=1S/C7H6F3N/c1-5-2-6(4-11-3-5)7(8,9)10/h3H,2H2,1H3
InChIKeyNDNIPBLFIJEPIR-UHFFFAOYSA-N
XLogP2.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-4H-pyridine?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-4H-pyridine (CID 162540702) is 3-methyl-5-(trifluoromethyl)-4H-pyridine.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-4H-pyridine?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-4H-pyridine is CC1=CN=C=C(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-4H-pyridine?
The InChIKey is NDNIPBLFIJEPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N/c1-5-2-6(4-11-3-5)7(8,9)10/h3H,2H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-4H-pyridine?
3-methyl-5-(trifluoromethyl)-4H-pyridine has a molecular weight of 161.13 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-4H-pyridine is sourced from PubChem (CID 162540702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).