4H-imidazo[4,5-b]pyridin-4-ium

C6H6N3+ — CID 165117308

IUPAC4H-imidazo[4,5-b]pyridin-4-ium
SMILESC1=C[NH2+]C2=NC=NC2=C1
InChIInChI=1S/C6H5N3/c1-2-5-6(7-3-1)9-4-8-5/h1-4H,(H,7,8,9)/p+1
InChIKeyGAMYYCRTACQSBR-UHFFFAOYSA-O
MW120.13 g/mol
LogP-0.60
Rot. Bonds

About 4H-imidazo[4,5-b]pyridin-4-ium

4H-imidazo[4,5-b]pyridin-4-ium (PubChem CID 165117308) has the molecular formula C6H6N3+ and a molecular weight of 120.13 g/mol. Its IUPAC name is 4H-imidazo[4,5-b]pyridin-4-ium.

Molecular Properties

Compound Name4H-imidazo[4,5-b]pyridin-4-ium
PubChem CID165117308
Molecular FormulaC6H6N3+
Molecular Weight120.13 g/mol
Exact Mass120.06
IUPAC Name4H-imidazo[4,5-b]pyridin-4-ium
SMILESC1=C[NH2+]C2=NC=NC2=C1
InChIInChI=1S/C6H5N3/c1-2-5-6(7-3-1)9-4-8-5/h1-4H,(H,7,8,9)/p+1
InChIKeyGAMYYCRTACQSBR-UHFFFAOYSA-O
XLogP-0.60
TPSA41.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-imidazo[4,5-b]pyridin-4-ium?
The IUPAC name of 4H-imidazo[4,5-b]pyridin-4-ium (CID 165117308) is 4H-imidazo[4,5-b]pyridin-4-ium.
What is the SMILES notation for 4H-imidazo[4,5-b]pyridin-4-ium?
The canonical SMILES for 4H-imidazo[4,5-b]pyridin-4-ium is C1=C[NH2+]C2=NC=NC2=C1.
What is the InChIKey of 4H-imidazo[4,5-b]pyridin-4-ium?
The InChIKey is GAMYYCRTACQSBR-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5N3/c1-2-5-6(7-3-1)9-4-8-5/h1-4H,(H,7,8,9)/p+1.
What are the key properties of 4H-imidazo[4,5-b]pyridin-4-ium?
4H-imidazo[4,5-b]pyridin-4-ium has a molecular weight of 120.13 g/mol, XLogP of -0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazo[4,5-b]pyridin-4-ium is sourced from PubChem (CID 165117308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).