4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine

C13H9F4N — CID 130334912

IUPAC4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2cc(F)ccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H9F4N/c1-8-4-9(6-10(5-8)13(15,16)17)12-7-11(14)2-3-18-12/h2-7H,1H3
InChIKeyURVACXVRMCMOAN-UHFFFAOYSA-N
MW255.21 g/mol
LogP4.21
Rot. Bonds1

About 4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine

4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 130334912) has the molecular formula C13H9F4N and a molecular weight of 255.21 g/mol. Its IUPAC name is 4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine
PubChem CID130334912
Molecular FormulaC13H9F4N
Molecular Weight255.21 g/mol
Exact Mass255.07
IUPAC Name4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2cc(F)ccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H9F4N/c1-8-4-9(6-10(5-8)13(15,16)17)12-7-11(14)2-3-18-12/h2-7H,1H3
InChIKeyURVACXVRMCMOAN-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 4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine (CID 130334912) is 4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine is Cc1cc(-c2cc(F)ccn2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is URVACXVRMCMOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N/c1-8-4-9(6-10(5-8)13(15,16)17)12-7-11(14)2-3-18-12/h2-7H,1H3.
What are the key properties of 4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine?
4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]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 4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 130334912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).