2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid

C12H16N2O2 — CID 143614739

IUPAC2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC(C)(C)c1cn2c(n1)C=CC(C(=O)O)C2
InChIInChI=1S/C12H16N2O2/c1-12(2,3)9-7-14-6-8(11(15)16)4-5-10(14)13-9/h4-5,7-8H,6H2,1-3H3,(H,15,16)
InChIKeyHNJDYXDMJGYOTP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.91
Rot. Bonds1

About 2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid

2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 143614739) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID143614739
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC(C)(C)c1cn2c(n1)C=CC(C(=O)O)C2
InChIInChI=1S/C12H16N2O2/c1-12(2,3)9-7-14-6-8(11(15)16)4-5-10(14)13-9/h4-5,7-8H,6H2,1-3H3,(H,15,16)
InChIKeyHNJDYXDMJGYOTP-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid (CID 143614739) is 2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid is CC(C)(C)c1cn2c(n1)C=CC(C(=O)O)C2.
What is the InChIKey of 2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is HNJDYXDMJGYOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,3)9-7-14-6-8(11(15)16)4-5-10(14)13-9/h4-5,7-8H,6H2,1-3H3,(H,15,16).
What are the key properties of 2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid?
2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 143614739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).