2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine

C11H9Cl2F3N4 — CID 139350587

IUPAC2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine
SMILESCn1cnnc1C(F)(F)C(C)(F)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H9Cl2F3N4/c1-10(14,6-3-7(12)18-8(13)4-6)11(15,16)9-19-17-5-20(9)2/h3-5H,1-2H3
InChIKeyRETZKFIYQWTVGI-UHFFFAOYSA-N
MW325.12 g/mol
LogP3.49
Rot. Bonds3

About 2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine

2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine (PubChem CID 139350587) has the molecular formula C11H9Cl2F3N4 and a molecular weight of 325.12 g/mol. Its IUPAC name is 2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine
PubChem CID139350587
Molecular FormulaC11H9Cl2F3N4
Molecular Weight325.12 g/mol
Exact Mass324.02
IUPAC Name2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine
SMILESCn1cnnc1C(F)(F)C(C)(F)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H9Cl2F3N4/c1-10(14,6-3-7(12)18-8(13)4-6)11(15,16)9-19-17-5-20(9)2/h3-5H,1-2H3
InChIKeyRETZKFIYQWTVGI-UHFFFAOYSA-N
XLogP3.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine?
The IUPAC name of 2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine (CID 139350587) is 2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine.
What is the SMILES notation for 2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine?
The canonical SMILES for 2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine is Cn1cnnc1C(F)(F)C(C)(F)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine?
The InChIKey is RETZKFIYQWTVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F3N4/c1-10(14,6-3-7(12)18-8(13)4-6)11(15,16)9-19-17-5-20(9)2/h3-5H,1-2H3.
What are the key properties of 2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine?
2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine has a molecular weight of 325.12 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine is sourced from PubChem (CID 139350587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).