3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid

C12H15N3O2 — CID 82475538

IUPAC3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCCCn1c(C)nc2cc(C(=O)O)cnc21
InChIInChI=1S/C12H15N3O2/c1-3-4-5-15-8(2)14-10-6-9(12(16)17)7-13-11(10)15/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyMKHBYRNCSHJPNF-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.24
Rot. Bonds4

About 3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid

3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82475538) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82475538
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCCCn1c(C)nc2cc(C(=O)O)cnc21
InChIInChI=1S/C12H15N3O2/c1-3-4-5-15-8(2)14-10-6-9(12(16)17)7-13-11(10)15/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyMKHBYRNCSHJPNF-UHFFFAOYSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82475545
5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid
CID 94758220
2-methyl-3-pentylbenzimidazole-5-carboxylic acid
CID 82791290
ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate
CID 10085656
2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82479909
4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid
CID 82070616
7-bromo-2-methyl-1-propylbenzimidazole-5-carboxylic acid
CID 75487828
2-amino-1-butylbenzimidazole-5-carboxylic acid
CID 91671806
3-ethyl-2,6-dimethylimidazo[4,5-b]pyridine
CID 162381340
3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one
CID 82151411
3-cyclopentyl-2-propylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82488832
1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322844

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid (CID 82475538) is 3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid is CCCCn1c(C)nc2cc(C(=O)O)cnc21.
What is the InChIKey of 3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is MKHBYRNCSHJPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-4-5-15-8(2)14-10-6-9(12(16)17)7-13-11(10)15/h6-7H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82475538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).