2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile

C14H8Cl2N4 — CID 82060428

IUPAC2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
SMILESN#CCc1c(-c2ccncc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C14H8Cl2N4/c15-10-7-11(16)14-19-13(9-2-5-18-6-3-9)12(1-4-17)20(14)8-10/h2-3,5-8H,1H2
InChIKeyABKOAPOSOSPTKP-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.77
Rot. Bonds2

About 2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile

2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile (PubChem CID 82060428) has the molecular formula C14H8Cl2N4 and a molecular weight of 303.15 g/mol. Its IUPAC name is 2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
PubChem CID82060428
Molecular FormulaC14H8Cl2N4
Molecular Weight303.15 g/mol
Exact Mass302.01
IUPAC Name2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
SMILESN#CCc1c(-c2ccncc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C14H8Cl2N4/c15-10-7-11(16)14-19-13(9-2-5-18-6-3-9)12(1-4-17)20(14)8-10/h2-3,5-8H,1H2
InChIKeyABKOAPOSOSPTKP-UHFFFAOYSA-N
XLogP3.77
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
The IUPAC name of 2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile (CID 82060428) is 2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile is N#CCc1c(-c2ccncc2)nc2c(Cl)cc(Cl)cn12.
What is the InChIKey of 2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
The InChIKey is ABKOAPOSOSPTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4/c15-10-7-11(16)14-19-13(9-2-5-18-6-3-9)12(1-4-17)20(14)8-10/h2-3,5-8H,1H2.
What are the key properties of 2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile has a molecular weight of 303.15 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile is sourced from PubChem (CID 82060428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).