6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile

C8H6BrN3 — CID 22031796

IUPAC6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#CC1CN=C2C=CC(Br)=CN21
InChIInChI=1S/C8H6BrN3/c9-6-1-2-8-11-4-7(3-10)12(8)5-6/h1-2,5,7H,4H2
InChIKeyPVNDTCDMFTVTQX-UHFFFAOYSA-N
MW224.06 g/mol
LogP1.40
Rot. Bonds

About 6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile

6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 22031796) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID22031796
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#CC1CN=C2C=CC(Br)=CN21
InChIInChI=1S/C8H6BrN3/c9-6-1-2-8-11-4-7(3-10)12(8)5-6/h1-2,5,7H,4H2
InChIKeyPVNDTCDMFTVTQX-UHFFFAOYSA-N
XLogP1.40
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile (CID 22031796) is 6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile is N#CC1CN=C2C=CC(Br)=CN21.
What is the InChIKey of 6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is PVNDTCDMFTVTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-6-1-2-8-11-4-7(3-10)12(8)5-6/h1-2,5,7H,4H2.
What are the key properties of 6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile?
6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 224.06 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydroimidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 22031796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).