4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline

C15H8F2N4 — CID 71538422

IUPAC4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline
SMILESFc1cc(F)c2nc(-c3cncc4ccccc34)nn2c1
InChIInChI=1S/C15H8F2N4/c16-10-5-13(17)15-19-14(20-21(15)8-10)12-7-18-6-9-3-1-2-4-11(9)12/h1-8H
InChIKeyKMTZQOIBRPIKLJ-UHFFFAOYSA-N
MW282.25 g/mol
LogP3.22
Rot. Bonds1

About 4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline

4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline (PubChem CID 71538422) has the molecular formula C15H8F2N4 and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline.

Molecular Properties

Compound Name4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline
PubChem CID71538422
Molecular FormulaC15H8F2N4
Molecular Weight282.25 g/mol
Exact Mass282.07
IUPAC Name4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline
SMILESFc1cc(F)c2nc(-c3cncc4ccccc34)nn2c1
InChIInChI=1S/C15H8F2N4/c16-10-5-13(17)15-19-14(20-21(15)8-10)12-7-18-6-9-3-1-2-4-11(9)12/h1-8H
InChIKeyKMTZQOIBRPIKLJ-UHFFFAOYSA-N
XLogP3.22
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline?
The IUPAC name of 4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline (CID 71538422) is 4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline.
What is the SMILES notation for 4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline?
The canonical SMILES for 4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline is Fc1cc(F)c2nc(-c3cncc4ccccc34)nn2c1.
What is the InChIKey of 4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline?
The InChIKey is KMTZQOIBRPIKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N4/c16-10-5-13(17)15-19-14(20-21(15)8-10)12-7-18-6-9-3-1-2-4-11(9)12/h1-8H.
What are the key properties of 4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline?
4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline has a molecular weight of 282.25 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-difluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline is sourced from PubChem (CID 71538422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).