2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile

C9H8N4 — CID 135395473

IUPAC2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile
SMILESN#CCc1cn2c(N)cccc2n1
InChIInChI=1S/C9H8N4/c10-5-4-7-6-13-8(11)2-1-3-9(13)12-7/h1-3,6H,4,11H2
InChIKeyQNIVSICGPAOZDS-UHFFFAOYSA-N
MW172.19 g/mol
LogP0.98
Rot. Bonds1

About 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile

2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile (PubChem CID 135395473) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile
PubChem CID135395473
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile
SMILESN#CCc1cn2c(N)cccc2n1
InChIInChI=1S/C9H8N4/c10-5-4-7-6-13-8(11)2-1-3-9(13)12-7/h1-3,6H,4,11H2
InChIKeyQNIVSICGPAOZDS-UHFFFAOYSA-N
XLogP0.98
TPSA67.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile?
The IUPAC name of 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile (CID 135395473) is 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile?
The canonical SMILES for 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile is N#CCc1cn2c(N)cccc2n1.
What is the InChIKey of 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile?
The InChIKey is QNIVSICGPAOZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c10-5-4-7-6-13-8(11)2-1-3-9(13)12-7/h1-3,6H,4,11H2.
What are the key properties of 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile?
2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile has a molecular weight of 172.19 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetonitrile is sourced from PubChem (CID 135395473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).