6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine

C13H9ClFN5 — CID 137497434

IUPAC6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cnc(Cl)nc1-c1ccc2nnc(C3CC3)n2c1
InChIInChI=1S/C13H9ClFN5/c14-13-16-5-9(15)11(17-13)8-3-4-10-18-19-12(7-1-2-7)20(10)6-8/h3-7H,1-2H2
InChIKeyBZYWMVBHWSMHDF-UHFFFAOYSA-N
MW289.70 g/mol
LogP2.86
Rot. Bonds2

About 6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine

6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 137497434) has the molecular formula C13H9ClFN5 and a molecular weight of 289.70 g/mol. Its IUPAC name is 6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID137497434
Molecular FormulaC13H9ClFN5
Molecular Weight289.70 g/mol
Exact Mass289.05
IUPAC Name6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cnc(Cl)nc1-c1ccc2nnc(C3CC3)n2c1
InChIInChI=1S/C13H9ClFN5/c14-13-16-5-9(15)11(17-13)8-3-4-10-18-19-12(7-1-2-7)20(10)6-8/h3-7H,1-2H2
InChIKeyBZYWMVBHWSMHDF-UHFFFAOYSA-N
XLogP2.86
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine (CID 137497434) is 6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine is Fc1cnc(Cl)nc1-c1ccc2nnc(C3CC3)n2c1.
What is the InChIKey of 6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BZYWMVBHWSMHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN5/c14-13-16-5-9(15)11(17-13)8-3-4-10-18-19-12(7-1-2-7)20(10)6-8/h3-7H,1-2H2.
What are the key properties of 6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine?
6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 289.70 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 137497434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).