3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile

C12H6FN5 — CID 122540372

IUPAC3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2cccc3ncnn23)cc1F
InChIInChI=1S/C12H6FN5/c13-9-4-8(6-15-10(9)5-14)11-2-1-3-12-16-7-17-18(11)12/h1-4,6-7H
InChIKeySBAVDTSBJDDFOK-UHFFFAOYSA-N
MW239.21 g/mol
LogP1.80
Rot. Bonds1

About 3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile

3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile (PubChem CID 122540372) has the molecular formula C12H6FN5 and a molecular weight of 239.21 g/mol. Its IUPAC name is 3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile
PubChem CID122540372
Molecular FormulaC12H6FN5
Molecular Weight239.21 g/mol
Exact Mass239.06
IUPAC Name3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2cccc3ncnn23)cc1F
InChIInChI=1S/C12H6FN5/c13-9-4-8(6-15-10(9)5-14)11-2-1-3-12-16-7-17-18(11)12/h1-4,6-7H
InChIKeySBAVDTSBJDDFOK-UHFFFAOYSA-N
XLogP1.80
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile (CID 122540372) is 3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile is N#Cc1ncc(-c2cccc3ncnn23)cc1F.
What is the InChIKey of 3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile?
The InChIKey is SBAVDTSBJDDFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FN5/c13-9-4-8(6-15-10(9)5-14)11-2-1-3-12-16-7-17-18(11)12/h1-4,6-7H.
What are the key properties of 3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile?
3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile has a molecular weight of 239.21 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 122540372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).