2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine

C13H9F4N — CID 70985275

IUPAC2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine
SMILESCc1ccc(-c2ccc(C(F)(F)F)cn2)cc1F
InChIInChI=1S/C13H9F4N/c1-8-2-3-9(6-11(8)14)12-5-4-10(7-18-12)13(15,16)17/h2-7H,1H3
InChIKeyNOPUMHPVCROGMU-UHFFFAOYSA-N
MW255.21 g/mol
LogP4.21
Rot. Bonds1

About 2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine

2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine (PubChem CID 70985275) has the molecular formula C13H9F4N and a molecular weight of 255.21 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine
PubChem CID70985275
Molecular FormulaC13H9F4N
Molecular Weight255.21 g/mol
Exact Mass255.07
IUPAC Name2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine
SMILESCc1ccc(-c2ccc(C(F)(F)F)cn2)cc1F
InChIInChI=1S/C13H9F4N/c1-8-2-3-9(6-11(8)14)12-5-4-10(7-18-12)13(15,16)17/h2-7H,1H3
InChIKeyNOPUMHPVCROGMU-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine (CID 70985275) is 2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine is Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine?
The InChIKey is NOPUMHPVCROGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N/c1-8-2-3-9(6-11(8)14)12-5-4-10(7-18-12)13(15,16)17/h2-7H,1H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine?
2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine 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-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 70985275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).