2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine

C13H8ClFN4 — CID 15957241

IUPAC2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine
SMILESFc1cccc(Cl)c1-c1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C13H8ClFN4/c14-8-4-3-5-9(15)11(8)13-17-12(18-19-13)10-6-1-2-7-16-10/h1-7H,(H,17,18,19)
InChIKeyRHLXOZCDQVVBQQ-UHFFFAOYSA-N
MW274.69 g/mol
LogP3.33
Rot. Bonds2

About 2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine

2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine (PubChem CID 15957241) has the molecular formula C13H8ClFN4 and a molecular weight of 274.69 g/mol. Its IUPAC name is 2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine
PubChem CID15957241
Molecular FormulaC13H8ClFN4
Molecular Weight274.69 g/mol
Exact Mass274.04
IUPAC Name2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine
SMILESFc1cccc(Cl)c1-c1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C13H8ClFN4/c14-8-4-3-5-9(15)11(8)13-17-12(18-19-13)10-6-1-2-7-16-10/h1-7H,(H,17,18,19)
InChIKeyRHLXOZCDQVVBQQ-UHFFFAOYSA-N
XLogP3.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.69
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The IUPAC name of 2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine (CID 15957241) is 2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine.
What is the SMILES notation for 2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The canonical SMILES for 2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine is Fc1cccc(Cl)c1-c1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The InChIKey is RHLXOZCDQVVBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4/c14-8-4-3-5-9(15)11(8)13-17-12(18-19-13)10-6-1-2-7-16-10/h1-7H,(H,17,18,19).
What are the key properties of 2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine?
2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine has a molecular weight of 274.69 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine is sourced from PubChem (CID 15957241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).