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

C13H8ClFN4 — CID 126515199

IUPAC4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccc(-n2cnnc2-c2ccncc2)cc1Cl
InChIInChI=1S/C13H8ClFN4/c14-11-7-10(1-2-12(11)15)19-8-17-18-13(19)9-3-5-16-6-4-9/h1-8H
InChIKeyHZWJIJRTKHSPME-UHFFFAOYSA-N
MW274.69 g/mol
LogP3.12
Rot. Bonds2

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

4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 126515199) has the molecular formula C13H8ClFN4 and a molecular weight of 274.69 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID126515199
Molecular FormulaC13H8ClFN4
Molecular Weight274.69 g/mol
Exact Mass274.04
IUPAC Name4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccc(-n2cnnc2-c2ccncc2)cc1Cl
InChIInChI=1S/C13H8ClFN4/c14-11-7-10(1-2-12(11)15)19-8-17-18-13(19)9-3-5-16-6-4-9/h1-8H
InChIKeyHZWJIJRTKHSPME-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.69
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Basimglurant
CID 11438771
3-(2-Chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 683376
Zapizolam
CID 68832
(21) 1H-1,2,4-triazol-3-yl-anilines 3-Cl,4-F3C(C6H4) 4-Pyridine
CID 57339852
3-[1-(4-chlorophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(trifluoromethyl)pyridine
CID 2727066
2-[4-[4-[(3-Chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10474163
2-[4-[4-(4-Chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11451056
3-({5-[2-chloro-3-(trifluoromethyl)phenyl]-1H-tetraazol-1-yl}methyl)pyridine
CID 11530196
3-[[1-(2,3-Dichloro-4-fluorophenyl)tetrazol-5-yl]methyl]pyridine
CID 11530593
3-[[1-[2-Chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine
CID 11610500
3-{[1-(2,3-dichlorophenyl)-1H-tetraazol-5-yl]methyl}pyridine
CID 11630893
3-[[1-[2-Chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine
CID 11653349

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine (CID 126515199) is 4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine is Fc1ccc(-n2cnnc2-c2ccncc2)cc1Cl.
What is the InChIKey of 4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is HZWJIJRTKHSPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4/c14-11-7-10(1-2-12(11)15)19-8-17-18-13(19)9-3-5-16-6-4-9/h1-8H.
What are the key properties of 4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine?
4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 274.69 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 126515199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).