3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine

C13H10F3N — CID 163831015

IUPAC3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine
SMILESCc1ccc(-c2cncc(C(F)F)c2)cc1F
InChIInChI=1S/C13H10F3N/c1-8-2-3-9(5-12(8)14)10-4-11(13(15)16)7-17-6-10/h2-7,13H,1H3
InChIKeyODQDMLYBNIPVEJ-UHFFFAOYSA-N
MW237.22 g/mol
LogP4.13
Rot. Bonds2

About 3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine

3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine (PubChem CID 163831015) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine
PubChem CID163831015
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Name3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine
SMILESCc1ccc(-c2cncc(C(F)F)c2)cc1F
InChIInChI=1S/C13H10F3N/c1-8-2-3-9(5-12(8)14)10-4-11(13(15)16)7-17-6-10/h2-7,13H,1H3
InChIKeyODQDMLYBNIPVEJ-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine?
The IUPAC name of 3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine (CID 163831015) is 3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine?
The canonical SMILES for 3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine is Cc1ccc(-c2cncc(C(F)F)c2)cc1F.
What is the InChIKey of 3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine?
The InChIKey is ODQDMLYBNIPVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c1-8-2-3-9(5-12(8)14)10-4-11(13(15)16)7-17-6-10/h2-7,13H,1H3.
What are the key properties of 3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine?
3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine has a molecular weight of 237.22 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine is sourced from PubChem (CID 163831015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).