4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile

C14H8N6 — CID 107791645

IUPAC4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-n2c(N)nc3cccnc32)cc1C#N
InChIInChI=1S/C14H8N6/c15-7-9-3-4-11(6-10(9)8-16)20-13-12(19-14(20)17)2-1-5-18-13/h1-6H,(H2,17,19)
InChIKeyZLMSSIKDSNBROM-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.75
Rot. Bonds1

About 4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile

4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile (PubChem CID 107791645) has the molecular formula C14H8N6 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile
PubChem CID107791645
Molecular FormulaC14H8N6
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-n2c(N)nc3cccnc32)cc1C#N
InChIInChI=1S/C14H8N6/c15-7-9-3-4-11(6-10(9)8-16)20-13-12(19-14(20)17)2-1-5-18-13/h1-6H,(H2,17,19)
InChIKeyZLMSSIKDSNBROM-UHFFFAOYSA-N
XLogP1.75
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile (CID 107791645) is 4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile is N#Cc1ccc(-n2c(N)nc3cccnc32)cc1C#N.
What is the InChIKey of 4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile?
The InChIKey is ZLMSSIKDSNBROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N6/c15-7-9-3-4-11(6-10(9)8-16)20-13-12(19-14(20)17)2-1-5-18-13/h1-6H,(H2,17,19).
What are the key properties of 4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile?
4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile has a molecular weight of 260.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoimidazo[4,5-b]pyridin-3-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107791645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).