methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate

C11H13N3O2 — CID 140992104

IUPACmethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate
SMILESCCC(C(=O)OC)c1nc2ncccc2[nH]1
InChIInChI=1S/C11H13N3O2/c1-3-7(11(15)16-2)9-13-8-5-4-6-12-10(8)14-9/h4-7H,3H2,1-2H3,(H,12,13,14)
InChIKeyHJXFIEHGHOHGGZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.62
Rot. Bonds3

About methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate

methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate (PubChem CID 140992104) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate
PubChem CID140992104
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate
SMILESCCC(C(=O)OC)c1nc2ncccc2[nH]1
InChIInChI=1S/C11H13N3O2/c1-3-7(11(15)16-2)9-13-8-5-4-6-12-10(8)14-9/h4-7H,3H2,1-2H3,(H,12,13,14)
InChIKeyHJXFIEHGHOHGGZ-UHFFFAOYSA-N
XLogP1.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one
CID 83857685
2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 62098401
ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 91082689
methyl (2R)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-2-phenylacetate
CID 7305447
2-ethoxy-1H-imidazo[4,5-b]pyridine
CID 69016773
1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
CID 87607314
4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide
CID 138857529
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 103310076
methyl 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]butanoate
CID 116883074
1H-imidazo[4,5-b]pyridine-2-sulfonamide
CID 66709927
calcium;hydride;2-methoxy-1H-imidazo[4,5-b]pyridine
CID 174521713
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide
CID 20908523

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate?
The IUPAC name of methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate (CID 140992104) is methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate.
What is the SMILES notation for methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate?
The canonical SMILES for methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate is CCC(C(=O)OC)c1nc2ncccc2[nH]1.
What is the InChIKey of methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate?
The InChIKey is HJXFIEHGHOHGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-7(11(15)16-2)9-13-8-5-4-6-12-10(8)14-9/h4-7H,3H2,1-2H3,(H,12,13,14).
What are the key properties of methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate?
methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate has a molecular weight of 219.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate is sourced from PubChem (CID 140992104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).