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

C15H9FN4 — CID 71538423

IUPAC4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline
SMILESFc1ccc2nc(-c3cncc4ccccc34)nn2c1
InChIInChI=1S/C15H9FN4/c16-11-5-6-14-18-15(19-20(14)9-11)13-8-17-7-10-3-1-2-4-12(10)13/h1-9H
InChIKeyNIZSTGJVZWRNFM-UHFFFAOYSA-N
MW264.26 g/mol
LogP3.08
Rot. Bonds1

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

4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline (PubChem CID 71538423) has the molecular formula C15H9FN4 and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline.

Molecular Properties

Compound Name4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline
PubChem CID71538423
Molecular FormulaC15H9FN4
Molecular Weight264.26 g/mol
Exact Mass264.08
IUPAC Name4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline
SMILESFc1ccc2nc(-c3cncc4ccccc34)nn2c1
InChIInChI=1S/C15H9FN4/c16-11-5-6-14-18-15(19-20(14)9-11)13-8-17-7-10-3-1-2-4-12(10)13/h1-9H
InChIKeyNIZSTGJVZWRNFM-UHFFFAOYSA-N
XLogP3.08
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline?
The IUPAC name of 4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline (CID 71538423) is 4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline.
What is the SMILES notation for 4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline?
The canonical SMILES for 4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline is Fc1ccc2nc(-c3cncc4ccccc34)nn2c1.
What is the InChIKey of 4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline?
The InChIKey is NIZSTGJVZWRNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4/c16-11-5-6-14-18-15(19-20(14)9-11)13-8-17-7-10-3-1-2-4-12(10)13/h1-9H.
What are the key properties of 4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline?
4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline has a molecular weight of 264.26 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)isoquinoline is sourced from PubChem (CID 71538423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).