2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile

C14H9FN4O — CID 103912270

IUPAC2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile
SMILESN#Cc1cccc(Cn2nc3ccccn3c2=O)c1F
InChIInChI=1S/C14H9FN4O/c15-13-10(8-16)4-3-5-11(13)9-19-14(20)18-7-2-1-6-12(18)17-19/h1-7H,9H2
InChIKeyAHRWNYIYDTXIQT-UHFFFAOYSA-N
MW268.25 g/mol
LogP1.56
Rot. Bonds2

About 2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile

2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile (PubChem CID 103912270) has the molecular formula C14H9FN4O and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile
PubChem CID103912270
Molecular FormulaC14H9FN4O
Molecular Weight268.25 g/mol
Exact Mass268.08
IUPAC Name2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile
SMILESN#Cc1cccc(Cn2nc3ccccn3c2=O)c1F
InChIInChI=1S/C14H9FN4O/c15-13-10(8-16)4-3-5-11(13)9-19-14(20)18-7-2-1-6-12(18)17-19/h1-7H,9H2
InChIKeyAHRWNYIYDTXIQT-UHFFFAOYSA-N
XLogP1.56
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile (CID 103912270) is 2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile is N#Cc1cccc(Cn2nc3ccccn3c2=O)c1F.
What is the InChIKey of 2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile?
The InChIKey is AHRWNYIYDTXIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O/c15-13-10(8-16)4-3-5-11(13)9-19-14(20)18-7-2-1-6-12(18)17-19/h1-7H,9H2.
What are the key properties of 2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile?
2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile has a molecular weight of 268.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile is sourced from PubChem (CID 103912270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).