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

C16H13F6N — CID 170246272

IUPAC2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine
SMILESCc1nc(F)c(F)c(-c2cc(C(F)(F)F)ccc2C(C)C)c1F
InChIInChI=1S/C16H13F6N/c1-7(2)10-5-4-9(16(20,21)22)6-11(10)12-13(17)8(3)23-15(19)14(12)18/h4-7H,1-3H3
InChIKeyHYKVRHXPBKFGAP-UHFFFAOYSA-N
MW333.28 g/mol
LogP5.62
Rot. Bonds2

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

2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 170246272) has the molecular formula C16H13F6N and a molecular weight of 333.28 g/mol. Its IUPAC name is 2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine
PubChem CID170246272
Molecular FormulaC16H13F6N
Molecular Weight333.28 g/mol
Exact Mass333.10
IUPAC Name2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine
SMILESCc1nc(F)c(F)c(-c2cc(C(F)(F)F)ccc2C(C)C)c1F
InChIInChI=1S/C16H13F6N/c1-7(2)10-5-4-9(16(20,21)22)6-11(10)12-13(17)8(3)23-15(19)14(12)18/h4-7H,1-3H3
InChIKeyHYKVRHXPBKFGAP-UHFFFAOYSA-N
XLogP5.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.28
LogP ≤ 55.62
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-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine (CID 170246272) is 2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine is Cc1nc(F)c(F)c(-c2cc(C(F)(F)F)ccc2C(C)C)c1F.
What is the InChIKey of 2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is HYKVRHXPBKFGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N/c1-7(2)10-5-4-9(16(20,21)22)6-11(10)12-13(17)8(3)23-15(19)14(12)18/h4-7H,1-3H3.
What are the key properties of 2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine?
2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine has a molecular weight of 333.28 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 170246272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).