2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid

C7H9N3O4S — CID 172837895

IUPAC2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid
SMILESCc1nc2ncccc2[nH]1.O=S(=O)(O)O
InChIInChI=1S/C7H7N3.H2O4S/c1-5-9-6-3-2-4-8-7(6)10-5;1-5(2,3)4/h2-4H,1H3,(H,8,9,10);(H2,1,2,3,4)
InChIKeyWKDCBZBDMBAQOJ-UHFFFAOYSA-N
MW231.23 g/mol
LogP0.61
Rot. Bonds

About 2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid

2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid (PubChem CID 172837895) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid.

Molecular Properties

Compound Name2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid
PubChem CID172837895
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid
SMILESCc1nc2ncccc2[nH]1.O=S(=O)(O)O
InChIInChI=1S/C7H7N3.H2O4S/c1-5-9-6-3-2-4-8-7(6)10-5;1-5(2,3)4/h2-4H,1H3,(H,8,9,10);(H2,1,2,3,4)
InChIKeyWKDCBZBDMBAQOJ-UHFFFAOYSA-N
XLogP0.61
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
CID 87607314
5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-1H-imidazo[4,5-b]pyridine
CID 155366063
1H-imidazo[4,5-b]pyridine-2-sulfonamide
CID 66709927
methane;2-methyl-1H-benzimidazole;2-methyl-1H-imidazo[4,5-b]pyridine;2-methyl-3H-imidazo[4,5-c]pyridine;8-methyl-7H-purine
CID 159628281
CID 59368109
CID 59368109
3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one
CID 83857685
2-ethoxy-1H-imidazo[4,5-b]pyridine
CID 69016773
1H-imidazo[4,5-b]pyridine-2-carbothioamide
CID 86130577
ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 91082689
1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride
CID 141030571
calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine
CID 174521713
2-(1H-imidazo[4,5-b]pyridin-2-yl)benzamide
CID 69046529

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid?
The IUPAC name of 2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid (CID 172837895) is 2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid.
What is the SMILES notation for 2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid?
The canonical SMILES for 2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid is Cc1nc2ncccc2[nH]1.O=S(=O)(O)O.
What is the InChIKey of 2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid?
The InChIKey is WKDCBZBDMBAQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.H2O4S/c1-5-9-6-3-2-4-8-7(6)10-5;1-5(2,3)4/h2-4H,1H3,(H,8,9,10);(H2,1,2,3,4).
What are the key properties of 2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid?
2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid has a molecular weight of 231.23 g/mol, XLogP of 0.61, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid is sourced from PubChem (CID 172837895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).