acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine

C10H13N3O — CID 144894477

IUPACacetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine
SMILESCC=O.Cc1nc2cccnc2n1C
InChIInChI=1S/C8H9N3.C2H4O/c1-6-10-7-4-3-5-9-8(7)11(6)2;1-2-3/h3-5H,1-2H3;2H,1H3
InChIKeyHCBVRENZWPDNAA-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.48
Rot. Bonds

About acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine

acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine (PubChem CID 144894477) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Nameacetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine
PubChem CID144894477
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Nameacetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine
SMILESCC=O.Cc1nc2cccnc2n1C
InChIInChI=1S/C8H9N3.C2H4O/c1-6-10-7-4-3-5-9-8(7)11(6)2;1-2-3/h3-5H,1-2H3;2H,1H3
InChIKeyHCBVRENZWPDNAA-UHFFFAOYSA-N
XLogP1.48
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde
CID 86730915
2,4-dimethylpyrido[2,3-b]pyrazin-3-one;ethane
CID 90706892
2-methoxy-3-methylimidazo[4,5-b]pyridine
CID 58577407
3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
2-(fluoromethyl)-3-methylimidazo[4,5-b]pyridine
CID 141030581
2-methoxy-4-methylpyrido[2,3-b]pyrazin-3-one
CID 90362861
4-methylpyrido[2,3-e][1,2,4]triazin-3-one
CID 59061424
2-hydrazinyl-4-methylpyrido[2,3-b]pyrazin-3-one
CID 71786184
2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine
CID 117164520
2,3-dimethyl-3-(3-methylimidazo[4,5-b]pyridin-2-yl)butan-2-amine
CID 65261518
3-(4-fluorophenyl)-2-methylimidazo[4,5-b]pyridine
CID 14119097
3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 59194302

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine?
The IUPAC name of acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine (CID 144894477) is acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine.
What is the SMILES notation for acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine?
The canonical SMILES for acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine is CC=O.Cc1nc2cccnc2n1C.
What is the InChIKey of acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine?
The InChIKey is HCBVRENZWPDNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.C2H4O/c1-6-10-7-4-3-5-9-8(7)11(6)2;1-2-3/h3-5H,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine?
acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine has a molecular weight of 191.23 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 144894477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).