1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid

C7H10N4O3S — CID 87607314

IUPAC1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
SMILESCS(=O)(=O)O.Nc1nc2ncccc2[nH]1
InChIInChI=1S/C6H6N4.CH4O3S/c7-6-9-4-2-1-3-8-5(4)10-6;1-5(2,3)4/h1-3H,(H3,7,8,9,10);1H3,(H,2,3,4)
InChIKeyGXTUEOAVSIXHBN-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.04
Rot. Bonds

About 1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid

1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid (PubChem CID 87607314) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is 1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid.

Molecular Properties

Compound Name1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
PubChem CID87607314
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Name1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
SMILESCS(=O)(=O)O.Nc1nc2ncccc2[nH]1
InChIInChI=1S/C6H6N4.CH4O3S/c7-6-9-4-2-1-3-8-5(4)10-6;1-5(2,3)4/h1-3H,(H3,7,8,9,10);1H3,(H,2,3,4)
InChIKeyGXTUEOAVSIXHBN-UHFFFAOYSA-N
XLogP0.04
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid?
The IUPAC name of 1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid (CID 87607314) is 1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid.
What is the SMILES notation for 1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid?
The canonical SMILES for 1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid is CS(=O)(=O)O.Nc1nc2ncccc2[nH]1.
What is the InChIKey of 1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid?
The InChIKey is GXTUEOAVSIXHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.CH4O3S/c7-6-9-4-2-1-3-8-5(4)10-6;1-5(2,3)4/h1-3H,(H3,7,8,9,10);1H3,(H,2,3,4).
What are the key properties of 1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid?
1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid has a molecular weight of 230.25 g/mol, XLogP of 0.04, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid is sourced from PubChem (CID 87607314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).