3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine

C14H12F3N — CID 130334917

IUPAC3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(C(F)(F)F)ccc1-c1ncccc1C
InChIInChI=1S/C14H12F3N/c1-9-4-3-7-18-13(9)12-6-5-11(8-10(12)2)14(15,16)17/h3-8H,1-2H3
InChIKeyHUPJWBWMDXZKMO-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.38
Rot. Bonds1

About 3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine

3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 130334917) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine
PubChem CID130334917
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(C(F)(F)F)ccc1-c1ncccc1C
InChIInChI=1S/C14H12F3N/c1-9-4-3-7-18-13(9)12-6-5-11(8-10(12)2)14(15,16)17/h3-8H,1-2H3
InChIKeyHUPJWBWMDXZKMO-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine (CID 130334917) is 3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine is Cc1cc(C(F)(F)F)ccc1-c1ncccc1C.
What is the InChIKey of 3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is HUPJWBWMDXZKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-9-4-3-7-18-13(9)12-6-5-11(8-10(12)2)14(15,16)17/h3-8H,1-2H3.
What are the key properties of 3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine?
3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 251.25 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 130334917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).