8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine

C12H7FN6 — CID 168774086

IUPAC8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cc(-c2c[nH]c3ncncc23)cn2ncnc12
InChIInChI=1S/C12H7FN6/c13-10-1-7(4-19-12(10)17-6-18-19)8-3-15-11-9(8)2-14-5-16-11/h1-6H,(H,14,15,16)
InChIKeyDGYZERLDVVUIIT-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.81
Rot. Bonds1

About 8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine

8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168774086) has the molecular formula C12H7FN6 and a molecular weight of 254.23 g/mol. Its IUPAC name is 8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168774086
Molecular FormulaC12H7FN6
Molecular Weight254.23 g/mol
Exact Mass254.07
IUPAC Name8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cc(-c2c[nH]c3ncncc23)cn2ncnc12
InChIInChI=1S/C12H7FN6/c13-10-1-7(4-19-12(10)17-6-18-19)8-3-15-11-9(8)2-14-5-16-11/h1-6H,(H,14,15,16)
InChIKeyDGYZERLDVVUIIT-UHFFFAOYSA-N
XLogP1.81
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 168774086) is 8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine is Fc1cc(-c2c[nH]c3ncncc23)cn2ncnc12.
What is the InChIKey of 8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DGYZERLDVVUIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN6/c13-10-1-7(4-19-12(10)17-6-18-19)8-3-15-11-9(8)2-14-5-16-11/h1-6H,(H,14,15,16).
What are the key properties of 8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 254.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168774086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).