2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile

C12H13N3 — CID 59580102

IUPAC2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile
SMILESCC(C)(C)c1cn2c(C#N)cccc2n1
InChIInChI=1S/C12H13N3/c1-12(2,3)10-8-15-9(7-13)5-4-6-11(15)14-10/h4-6,8H,1-3H3
InChIKeyNFPNJAFCOMGQJH-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.50
Rot. Bonds

About 2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile

2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile (PubChem CID 59580102) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile.

Molecular Properties

Compound Name2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile
PubChem CID59580102
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile
SMILESCC(C)(C)c1cn2c(C#N)cccc2n1
InChIInChI=1S/C12H13N3/c1-12(2,3)10-8-15-9(7-13)5-4-6-11(15)14-10/h4-6,8H,1-3H3
InChIKeyNFPNJAFCOMGQJH-UHFFFAOYSA-N
XLogP2.50
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile?
The IUPAC name of 2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile (CID 59580102) is 2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile.
What is the SMILES notation for 2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile?
The canonical SMILES for 2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile is CC(C)(C)c1cn2c(C#N)cccc2n1.
What is the InChIKey of 2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile?
The InChIKey is NFPNJAFCOMGQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-12(2,3)10-8-15-9(7-13)5-4-6-11(15)14-10/h4-6,8H,1-3H3.
What are the key properties of 2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile?
2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile has a molecular weight of 199.26 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile is sourced from PubChem (CID 59580102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).