2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine

C17H16F2N4 — CID 139661661

IUPAC2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N4/c1-12(17-4-2-3-7-21-17)15(9-23-11-20-10-22-23)14-6-5-13(18)8-16(14)19/h2-8,10-12,15H,9H2,1H3
InChIKeyCNVGPYGUXBHIAQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.54
Rot. Bonds5

About 2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine

2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine (PubChem CID 139661661) has the molecular formula C17H16F2N4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine
PubChem CID139661661
Molecular FormulaC17H16F2N4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N4/c1-12(17-4-2-3-7-21-17)15(9-23-11-20-10-22-23)14-6-5-13(18)8-16(14)19/h2-8,10-12,15H,9H2,1H3
InChIKeyCNVGPYGUXBHIAQ-UHFFFAOYSA-N
XLogP3.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-(2,4-difluorophenyl)-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile
CID 102467920
1-[(2R,3S)-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methylidenepiperidine
CID 145344172
4-[(2R,3S)-3-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyrimidine
CID 143529696
1-[2-(2,4-difluorophenyl)-3-(1,3-dioxan-5-ylsulfanyl)butyl]-1,2,4-triazole;ethane
CID 142163619
[(1R,2R)-2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propyl] dihydrogen phosphate
CID 95731722
[(1S,2S)-2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propyl] dihydrogen phosphate
CID 95731719
4-[1-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethyl]cyclopropyl]-5-fluoropyrimidine
CID 143323406
4-[1-[3-(2,4-difluorophenyl)-1-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]pyrazol-4-yl]pyridine-3-carbonitrile
CID 69318435
2-(2,4-difluorophenyl)-3-pyridazin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 18956543
2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol
CID 167746540
1-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 66460513
2,6-bis(2,4-difluorophenyl)-7-pyridin-2-yl-3-pyridin-4-yl-1,5-bis(1,2,4-triazol-1-yl)octane-2,6-diol
CID 57065027

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine?
The IUPAC name of 2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine (CID 139661661) is 2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine.
What is the SMILES notation for 2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine?
The canonical SMILES for 2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine is CC(c1ccccn1)C(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine?
The InChIKey is CNVGPYGUXBHIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4/c1-12(17-4-2-3-7-21-17)15(9-23-11-20-10-22-23)14-6-5-13(18)8-16(14)19/h2-8,10-12,15H,9H2,1H3.
What are the key properties of 2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine?
2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine has a molecular weight of 314.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine is sourced from PubChem (CID 139661661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).