5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde

C8H7N3O — CID 81136829

IUPAC5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde
SMILESCc1ccc2[nH]c(C=O)nc2n1
InChIInChI=1S/C8H7N3O/c1-5-2-3-6-8(9-5)11-7(4-12)10-6/h2-4H,1H3,(H,9,10,11)
InChIKeyIBCILMYAFNPFQA-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.08
Rot. Bonds1

About 5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde

5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde (PubChem CID 81136829) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde
PubChem CID81136829
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde
SMILESCc1ccc2[nH]c(C=O)nc2n1
InChIInChI=1S/C8H7N3O/c1-5-2-3-6-8(9-5)11-7(4-12)10-6/h2-4H,1H3,(H,9,10,11)
InChIKeyIBCILMYAFNPFQA-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5H-imidazo[4,5-c]pyridazine-6-carbaldehyde
CID 112710724
2-cyclobutyl-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137891
5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine
CID 81136910
5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid
CID 81137605
2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137539
2-(2-methoxy-2-methylpropyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 103020933
1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde
CID 162810002
5-methyl-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 81137537
5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
CID 81137552
5-methyl-2-(1,1,2,2-tetrafluoroethyl)-1H-imidazo[4,5-b]pyridine
CID 81137371
2-(3,5-dibromophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 107972981
1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen
CID 143522303

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde?
The IUPAC name of 5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde (CID 81136829) is 5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde?
The canonical SMILES for 5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde is Cc1ccc2[nH]c(C=O)nc2n1.
What is the InChIKey of 5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde?
The InChIKey is IBCILMYAFNPFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-5-2-3-6-8(9-5)11-7(4-12)10-6/h2-4H,1H3,(H,9,10,11).
What are the key properties of 5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde?
5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 81136829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).