2-(3-fluoro-5-methylphenyl)-5-methylpyridine

C13H12FN — CID 147408011

IUPAC2-(3-fluoro-5-methylphenyl)-5-methylpyridine
SMILESCc1ccc(-c2cc(C)cc(F)c2)nc1
InChIInChI=1S/C13H12FN/c1-9-3-4-13(15-8-9)11-5-10(2)6-12(14)7-11/h3-8H,1-2H3
InChIKeyDQBAIOFSIOCUAD-UHFFFAOYSA-N
MW201.24 g/mol
LogP3.50
Rot. Bonds1

About 2-(3-fluoro-5-methylphenyl)-5-methylpyridine

2-(3-fluoro-5-methylphenyl)-5-methylpyridine (PubChem CID 147408011) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylphenyl)-5-methylpyridine.

Molecular Properties

Compound Name2-(3-fluoro-5-methylphenyl)-5-methylpyridine
PubChem CID147408011
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name2-(3-fluoro-5-methylphenyl)-5-methylpyridine
SMILESCc1ccc(-c2cc(C)cc(F)c2)nc1
InChIInChI=1S/C13H12FN/c1-9-3-4-13(15-8-9)11-5-10(2)6-12(14)7-11/h3-8H,1-2H3
InChIKeyDQBAIOFSIOCUAD-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylphenyl)-5-methylpyridine?
The IUPAC name of 2-(3-fluoro-5-methylphenyl)-5-methylpyridine (CID 147408011) is 2-(3-fluoro-5-methylphenyl)-5-methylpyridine.
What is the SMILES notation for 2-(3-fluoro-5-methylphenyl)-5-methylpyridine?
The canonical SMILES for 2-(3-fluoro-5-methylphenyl)-5-methylpyridine is Cc1ccc(-c2cc(C)cc(F)c2)nc1.
What is the InChIKey of 2-(3-fluoro-5-methylphenyl)-5-methylpyridine?
The InChIKey is DQBAIOFSIOCUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c1-9-3-4-13(15-8-9)11-5-10(2)6-12(14)7-11/h3-8H,1-2H3.
What are the key properties of 2-(3-fluoro-5-methylphenyl)-5-methylpyridine?
2-(3-fluoro-5-methylphenyl)-5-methylpyridine has a molecular weight of 201.24 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylphenyl)-5-methylpyridine is sourced from PubChem (CID 147408011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).