2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C14H19N3O2 — CID 82821711

IUPAC2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCC(Cc1nc2ncc(C(=O)O)cc2[nH]1)C(C)(C)C
InChIInChI=1S/C14H19N3O2/c1-8(14(2,3)4)5-11-16-10-6-9(13(18)19)7-15-12(10)17-11/h6-8H,5H2,1-4H3,(H,18,19)(H,15,16,17)
InChIKeyQTERGOOXYCWLHP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.88
Rot. Bonds3

About 2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82821711) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82821711
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCC(Cc1nc2ncc(C(=O)O)cc2[nH]1)C(C)(C)C
InChIInChI=1S/C14H19N3O2/c1-8(14(2,3)4)5-11-16-10-6-9(13(18)19)7-15-12(10)17-11/h6-8H,5H2,1-4H3,(H,18,19)(H,15,16,17)
InChIKeyQTERGOOXYCWLHP-UHFFFAOYSA-N
XLogP2.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82821711) is 2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is CC(Cc1nc2ncc(C(=O)O)cc2[nH]1)C(C)(C)C.
What is the InChIKey of 2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is QTERGOOXYCWLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(14(2,3)4)5-11-16-10-6-9(13(18)19)7-15-12(10)17-11/h6-8H,5H2,1-4H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82821711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).