methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate

C11H13N3O2 — CID 18693152

IUPACmethyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate
SMILESCCc1nc2nc(C(=O)OC)cc(C)c2[nH]1
InChIInChI=1S/C11H13N3O2/c1-4-8-13-9-6(2)5-7(11(15)16-3)12-10(9)14-8/h5H,4H2,1-3H3,(H,12,13,14)
InChIKeyCKHUFDKHYVSTKD-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.62
Rot. Bonds2

About methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate

methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 18693152) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate
PubChem CID18693152
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate
SMILESCCc1nc2nc(C(=O)OC)cc(C)c2[nH]1
InChIInChI=1S/C11H13N3O2/c1-4-8-13-9-6(2)5-7(11(15)16-3)12-10(9)14-8/h5H,4H2,1-3H3,(H,12,13,14)
InChIKeyCKHUFDKHYVSTKD-UHFFFAOYSA-N
XLogP1.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate (CID 18693152) is methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate is CCc1nc2nc(C(=O)OC)cc(C)c2[nH]1.
What is the InChIKey of methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is CKHUFDKHYVSTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-4-8-13-9-6(2)5-7(11(15)16-3)12-10(9)14-8/h5H,4H2,1-3H3,(H,12,13,14).
What are the key properties of methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate?
methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 18693152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).