2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid

C14H18ClN3O2 — CID 82143426

IUPAC2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C)c1nc2cc(Cl)cnc2n1C(C)(C)C(=O)O
InChIInChI=1S/C14H18ClN3O2/c1-13(2,3)11-17-9-6-8(15)7-16-10(9)18(11)14(4,5)12(19)20/h6-7H,1-5H3,(H,19,20)
InChIKeyNQDXYRZEDINZPI-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.20
Rot. Bonds2

About 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid

2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid (PubChem CID 82143426) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
PubChem CID82143426
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C)c1nc2cc(Cl)cnc2n1C(C)(C)C(=O)O
InChIInChI=1S/C14H18ClN3O2/c1-13(2,3)11-17-9-6-8(15)7-16-10(9)18(11)14(4,5)12(19)20/h6-7H,1-5H3,(H,19,20)
InChIKeyNQDXYRZEDINZPI-UHFFFAOYSA-N
XLogP3.20
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid (CID 82143426) is 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid is CC(C)(C)c1nc2cc(Cl)cnc2n1C(C)(C)C(=O)O.
What is the InChIKey of 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
The InChIKey is NQDXYRZEDINZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-13(2,3)11-17-9-6-8(15)7-16-10(9)18(11)14(4,5)12(19)20/h6-7H,1-5H3,(H,19,20).
What are the key properties of 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid has a molecular weight of 295.77 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 82143426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).