2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine

C13H7F6N — CID 11437757

IUPAC2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1c(F)c(F)nc(-c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C13H7F6N/c1-6-9(14)11(20-12(16)10(6)15)7-2-4-8(5-3-7)13(17,18)19/h2-5H,1H3
InChIKeyXHFNAWZXZQUTJA-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.49
Rot. Bonds1

About 2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine

2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 11437757) has the molecular formula C13H7F6N and a molecular weight of 291.19 g/mol. Its IUPAC name is 2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID11437757
Molecular FormulaC13H7F6N
Molecular Weight291.19 g/mol
Exact Mass291.05
IUPAC Name2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1c(F)c(F)nc(-c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C13H7F6N/c1-6-9(14)11(20-12(16)10(6)15)7-2-4-8(5-3-7)13(17,18)19/h2-5H,1H3
InChIKeyXHFNAWZXZQUTJA-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine (CID 11437757) is 2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine is Cc1c(F)c(F)nc(-c2ccc(C(F)(F)F)cc2)c1F.
What is the InChIKey of 2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is XHFNAWZXZQUTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6N/c1-6-9(14)11(20-12(16)10(6)15)7-2-4-8(5-3-7)13(17,18)19/h2-5H,1H3.
What are the key properties of 2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine?
2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 291.19 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 11437757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).