2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine

C13H9F4N — CID 178100947

IUPAC2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine
SMILESCc1cccc(-c2ccc(F)cc2C(F)(F)F)n1
InChIInChI=1S/C13H9F4N/c1-8-3-2-4-12(18-8)10-6-5-9(14)7-11(10)13(15,16)17/h2-7H,1H3
InChIKeyAAAJKMZPOTYBCN-UHFFFAOYSA-N
MW255.21 g/mol
LogP4.21
Rot. Bonds1

About 2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine

2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine (PubChem CID 178100947) has the molecular formula C13H9F4N and a molecular weight of 255.21 g/mol. Its IUPAC name is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine
PubChem CID178100947
Molecular FormulaC13H9F4N
Molecular Weight255.21 g/mol
Exact Mass255.07
IUPAC Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine
SMILESCc1cccc(-c2ccc(F)cc2C(F)(F)F)n1
InChIInChI=1S/C13H9F4N/c1-8-3-2-4-12(18-8)10-6-5-9(14)7-11(10)13(15,16)17/h2-7H,1H3
InChIKeyAAAJKMZPOTYBCN-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole
CID 155681917
2-[4-fluoro-2-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476819
2-methyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine
CID 162575936
3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine
CID 46317075
4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
CID 67701490
[3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol
CID 69398584
4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene
CID 129162706
3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1,2,4-triazole
CID 163359380
[1-(2,2-dimethylpropyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 168956952
2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine
CID 162575934
4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 134628195
2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline
CID 90246837

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine?
The IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine (CID 178100947) is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine.
What is the SMILES notation for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine?
The canonical SMILES for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine is Cc1cccc(-c2ccc(F)cc2C(F)(F)F)n1.
What is the InChIKey of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine?
The InChIKey is AAAJKMZPOTYBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N/c1-8-3-2-4-12(18-8)10-6-5-9(14)7-11(10)13(15,16)17/h2-7H,1H3.
What are the key properties of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine?
2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine has a molecular weight of 255.21 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyridine is sourced from PubChem (CID 178100947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).