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

C9H6BrN3 — CID 135394945

IUPAC2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile
SMILESN#CCc1cn2c(Br)cccc2n1
InChIInChI=1S/C9H6BrN3/c10-8-2-1-3-9-12-7(4-5-11)6-13(8)9/h1-3,6H,4H2
InChIKeyVQDJROHSZXIAJT-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.16
Rot. Bonds1

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

2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile (PubChem CID 135394945) has the molecular formula C9H6BrN3 and a molecular weight of 236.07 g/mol. Its IUPAC name is 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile
PubChem CID135394945
Molecular FormulaC9H6BrN3
Molecular Weight236.07 g/mol
Exact Mass234.97
IUPAC Name2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile
SMILESN#CCc1cn2c(Br)cccc2n1
InChIInChI=1S/C9H6BrN3/c10-8-2-1-3-9-12-7(4-5-11)6-13(8)9/h1-3,6H,4H2
InChIKeyVQDJROHSZXIAJT-UHFFFAOYSA-N
XLogP2.16
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile?
The IUPAC name of 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile (CID 135394945) is 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile?
The canonical SMILES for 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile is N#CCc1cn2c(Br)cccc2n1.
What is the InChIKey of 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile?
The InChIKey is VQDJROHSZXIAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3/c10-8-2-1-3-9-12-7(4-5-11)6-13(8)9/h1-3,6H,4H2.
What are the key properties of 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile?
2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile has a molecular weight of 236.07 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile is sourced from PubChem (CID 135394945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).