2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine

C18H14F2N4 — CID 66597875

IUPAC2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine
SMILESFCc1cccc(C#CCCn2ncc(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C18H14F2N4/c19-12-17-6-3-5-16(22-17)4-1-2-11-24-21-13-18(23-24)14-7-9-15(20)10-8-14/h3,5-10,13H,2,11-12H2
InChIKeyGKMFYWQXXNWUIF-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.39
Rot. Bonds4

About 2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine

2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine (PubChem CID 66597875) has the molecular formula C18H14F2N4 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine.

Molecular Properties

Compound Name2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine
PubChem CID66597875
Molecular FormulaC18H14F2N4
Molecular Weight324.33 g/mol
Exact Mass324.12
IUPAC Name2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine
SMILESFCc1cccc(C#CCCn2ncc(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C18H14F2N4/c19-12-17-6-3-5-16(22-17)4-1-2-11-24-21-13-18(23-24)14-7-9-15(20)10-8-14/h3,5-10,13H,2,11-12H2
InChIKeyGKMFYWQXXNWUIF-UHFFFAOYSA-N
XLogP3.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine?
The IUPAC name of 2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine (CID 66597875) is 2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine.
What is the SMILES notation for 2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine?
The canonical SMILES for 2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine is FCc1cccc(C#CCCn2ncc(-c3ccc(F)cc3)n2)n1.
What is the InChIKey of 2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine?
The InChIKey is GKMFYWQXXNWUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4/c19-12-17-6-3-5-16(22-17)4-1-2-11-24-21-13-18(23-24)14-7-9-15(20)10-8-14/h3,5-10,13H,2,11-12H2.
What are the key properties of 2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine?
2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine has a molecular weight of 324.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6-[4-[4-(4-fluorophenyl)triazol-2-yl]but-1-ynyl]pyridine is sourced from PubChem (CID 66597875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).