5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C15H12ClF2N3S — CID 11717079

IUPAC5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(Sc3ccc(F)cc3F)c(Cl)n12
InChIInChI=1S/C15H12ClF2N3S/c1-8(2)15-20-19-13-6-5-12(14(16)21(13)15)22-11-4-3-9(17)7-10(11)18/h3-8H,1-2H3
InChIKeyXDFGHQBNCYQDDN-UHFFFAOYSA-N
MW339.80 g/mol
LogP4.94
Rot. Bonds3

About 5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 11717079) has the molecular formula C15H12ClF2N3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID11717079
Molecular FormulaC15H12ClF2N3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(Sc3ccc(F)cc3F)c(Cl)n12
InChIInChI=1S/C15H12ClF2N3S/c1-8(2)15-20-19-13-6-5-12(14(16)21(13)15)22-11-4-3-9(17)7-10(11)18/h3-8H,1-2H3
InChIKeyXDFGHQBNCYQDDN-UHFFFAOYSA-N
XLogP4.94
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

5-Chloro-3-ethyl-1,2,4-triazolo[4,3-a]pyridine
CID 324444
3-Tert-butyl-6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4,3-a]pyridine hydrochloride
CID 11702482
7-Chloro-6-(2,4-difluorophenylthio)-3-isopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 46226944
6-(2,4-Difluorophenyl)sulfanyl-3-(2-methylpent-4-en-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
CID 46227809
6-[(2,4-Difluorophenyl)thio]-3-isopropyl[1,2,4]triazolo[4,3-a]pyridine hydrochloride
CID 46227812
6-(2,4-Difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
CID 46227815
5-Chloro-3-(1,1-dimethylethyl)-1,2,4-triazolo(4,3-a)pyridine
CID 324436
3-Tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
CID 46227814
5-Bromo-7-chloro-6-(2,4-difluorophenylthio)-3-isopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 11575331
6-(2,4-Difluorophenylsulfinyl)-3-isopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 11702517
5,7-Dichloro-6-(2,4-difluorophenylthio)-3-isopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 46226945
6-(2,4-Dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
CID 46226972

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 11717079) is 5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2ccc(Sc3ccc(F)cc3F)c(Cl)n12.
What is the InChIKey of 5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XDFGHQBNCYQDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3S/c1-8(2)15-20-19-13-6-5-12(14(16)21(13)15)22-11-4-3-9(17)7-10(11)18/h3-8H,1-2H3.
What are the key properties of 5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 339.80 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 11717079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).