2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine

C11H11N3O — CID 126954775

IUPAC2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine
SMILESCC#CCOc1nc2cccnc2n1C
InChIInChI=1S/C11H11N3O/c1-3-4-8-15-11-13-9-6-5-7-12-10(9)14(11)2/h5-7H,8H2,1-2H3
InChIKeyPPIOOKMQKFQTFE-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.37
Rot. Bonds2

About 2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine

2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine (PubChem CID 126954775) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine
PubChem CID126954775
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine
SMILESCC#CCOc1nc2cccnc2n1C
InChIInChI=1S/C11H11N3O/c1-3-4-8-15-11-13-9-6-5-7-12-10(9)14(11)2/h5-7H,8H2,1-2H3
InChIKeyPPIOOKMQKFQTFE-UHFFFAOYSA-N
XLogP1.37
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-methylimidazo[4,5-b]pyridine
CID 58577407
2-cyclopentyloxy-3-methylimidazo[4,5-b]pyridine
CID 126854440
2-(fluoromethyl)-3-methylimidazo[4,5-b]pyridine
CID 141030581
3-amino-3-(3-methylimidazo[4,5-b]pyridin-2-yl)propan-1-ol
CID 63758327
2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine
CID 63757289
2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine
CID 117164520
N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]propan-1-amine
CID 63756250
2-methoxy-4-methylpyrido[2,3-b]pyrazin-3-one
CID 90362861
2,4-dimethylpyrido[2,3-b]pyrazin-3-one;ethane
CID 90706892
acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine
CID 144894477
2,3-dimethyl-3-(3-methylimidazo[4,5-b]pyridin-2-yl)butan-2-amine
CID 65261518
5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid
CID 63757796

Frequently Asked Questions

What is the IUPAC name of 2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine (CID 126954775) is 2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine is CC#CCOc1nc2cccnc2n1C.
What is the InChIKey of 2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine?
The InChIKey is PPIOOKMQKFQTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-3-4-8-15-11-13-9-6-5-7-12-10(9)14(11)2/h5-7H,8H2,1-2H3.
What are the key properties of 2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine?
2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine has a molecular weight of 201.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 126954775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).