5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

C10H11ClFN3 — CID 134452486

IUPAC5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(F)c2nc(C(C)C)nn2c1Cl
InChIInChI=1S/C10H11ClFN3/c1-5(2)9-13-10-7(12)4-6(3)8(11)15(10)14-9/h4-5H,1-3H3
InChIKeyHHTJWIYSHFVTGN-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.95
Rot. Bonds1

About 5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134452486) has the molecular formula C10H11ClFN3 and a molecular weight of 227.67 g/mol. Its IUPAC name is 5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134452486
Molecular FormulaC10H11ClFN3
Molecular Weight227.67 g/mol
Exact Mass227.06
IUPAC Name5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(F)c2nc(C(C)C)nn2c1Cl
InChIInChI=1S/C10H11ClFN3/c1-5(2)9-13-10-7(12)4-6(3)8(11)15(10)14-9/h4-5H,1-3H3
InChIKeyHHTJWIYSHFVTGN-UHFFFAOYSA-N
XLogP2.95
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 134452486) is 5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(F)c2nc(C(C)C)nn2c1Cl.
What is the InChIKey of 5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HHTJWIYSHFVTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3/c1-5(2)9-13-10-7(12)4-6(3)8(11)15(10)14-9/h4-5H,1-3H3.
What are the key properties of 5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 227.67 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134452486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).