6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile

C9H6BrN3 — CID 82057697

IUPAC6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile
SMILESCc1cc(Br)cn2cc(C#N)nc12
InChIInChI=1S/C9H6BrN3/c1-6-2-7(10)4-13-5-8(3-11)12-9(6)13/h2,4-5H,1H3
InChIKeyNCOCBHLKDXQBPO-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.28
Rot. Bonds

About 6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile

6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile (PubChem CID 82057697) has the molecular formula C9H6BrN3 and a molecular weight of 236.07 g/mol. Its IUPAC name is 6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile
PubChem CID82057697
Molecular FormulaC9H6BrN3
Molecular Weight236.07 g/mol
Exact Mass234.97
IUPAC Name6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile
SMILESCc1cc(Br)cn2cc(C#N)nc12
InChIInChI=1S/C9H6BrN3/c1-6-2-7(10)4-13-5-8(3-11)12-9(6)13/h2,4-5H,1H3
InChIKeyNCOCBHLKDXQBPO-UHFFFAOYSA-N
XLogP2.28
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile?
The IUPAC name of 6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile (CID 82057697) is 6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile.
What is the SMILES notation for 6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile?
The canonical SMILES for 6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile is Cc1cc(Br)cn2cc(C#N)nc12.
What is the InChIKey of 6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile?
The InChIKey is NCOCBHLKDXQBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3/c1-6-2-7(10)4-13-5-8(3-11)12-9(6)13/h2,4-5H,1H3.
What are the key properties of 6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile?
6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile has a molecular weight of 236.07 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methylimidazo[1,2-a]pyridine-2-carbonitrile is sourced from PubChem (CID 82057697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).