2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile

C13H9N5 — CID 71253933

IUPAC2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile
SMILESN#CCc1[nH]nc2cnc(-c3cccnc3)cc12
InChIInChI=1S/C13H9N5/c14-4-3-11-10-6-12(9-2-1-5-15-7-9)16-8-13(10)18-17-11/h1-2,5-8H,3H2,(H,17,18)
InChIKeyRANSAJMFIOYXQJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.09
Rot. Bonds2

About 2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile

2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile (PubChem CID 71253933) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile
PubChem CID71253933
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile
SMILESN#CCc1[nH]nc2cnc(-c3cccnc3)cc12
InChIInChI=1S/C13H9N5/c14-4-3-11-10-6-12(9-2-1-5-15-7-9)16-8-13(10)18-17-11/h1-2,5-8H,3H2,(H,17,18)
InChIKeyRANSAJMFIOYXQJ-UHFFFAOYSA-N
XLogP2.09
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile?
The IUPAC name of 2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile (CID 71253933) is 2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile is N#CCc1[nH]nc2cnc(-c3cccnc3)cc12.
What is the InChIKey of 2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile?
The InChIKey is RANSAJMFIOYXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c14-4-3-11-10-6-12(9-2-1-5-15-7-9)16-8-13(10)18-17-11/h1-2,5-8H,3H2,(H,17,18).
What are the key properties of 2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile?
2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile has a molecular weight of 235.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-3-yl-2H-pyrazolo[3,4-c]pyridin-3-yl)acetonitrile is sourced from PubChem (CID 71253933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).