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

C7H6F3N — CID 162540740

IUPAC4-methyl-3-(trifluoromethyl)-3H-pyridine
SMILESCC1=C=CN=CC1C(F)(F)F
InChIInChI=1S/C7H6F3N/c1-5-2-3-11-4-6(5)7(8,9)10/h3-4,6H,1H3
InChIKeyWADYEUBLPIALCA-UHFFFAOYSA-N
MW161.13 g/mol
LogP2.31
Rot. Bonds

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

4-methyl-3-(trifluoromethyl)-3H-pyridine (PubChem CID 162540740) has the molecular formula C7H6F3N and a molecular weight of 161.13 g/mol. Its IUPAC name is 4-methyl-3-(trifluoromethyl)-3H-pyridine.

Molecular Properties

Compound Name4-methyl-3-(trifluoromethyl)-3H-pyridine
PubChem CID162540740
Molecular FormulaC7H6F3N
Molecular Weight161.13 g/mol
Exact Mass161.05
IUPAC Name4-methyl-3-(trifluoromethyl)-3H-pyridine
SMILESCC1=C=CN=CC1C(F)(F)F
InChIInChI=1S/C7H6F3N/c1-5-2-3-11-4-6(5)7(8,9)10/h3-4,6H,1H3
InChIKeyWADYEUBLPIALCA-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(trifluoromethyl)-3H-pyridine?
The IUPAC name of 4-methyl-3-(trifluoromethyl)-3H-pyridine (CID 162540740) is 4-methyl-3-(trifluoromethyl)-3H-pyridine.
What is the SMILES notation for 4-methyl-3-(trifluoromethyl)-3H-pyridine?
The canonical SMILES for 4-methyl-3-(trifluoromethyl)-3H-pyridine is CC1=C=CN=CC1C(F)(F)F.
What is the InChIKey of 4-methyl-3-(trifluoromethyl)-3H-pyridine?
The InChIKey is WADYEUBLPIALCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N/c1-5-2-3-11-4-6(5)7(8,9)10/h3-4,6H,1H3.
What are the key properties of 4-methyl-3-(trifluoromethyl)-3H-pyridine?
4-methyl-3-(trifluoromethyl)-3H-pyridine has a molecular weight of 161.13 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(trifluoromethyl)-3H-pyridine is sourced from PubChem (CID 162540740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).