methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate

C10H11N3O2 — CID 112617609

IUPACmethyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate
SMILESCCn1c(C(=O)OC)nc2cnccc21
InChIInChI=1S/C10H11N3O2/c1-3-13-8-4-5-11-6-7(8)12-9(13)10(14)15-2/h4-6H,3H2,1-2H3
InChIKeyZXUMLLWZTHYQKL-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.24
Rot. Bonds2

About methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate

methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate (PubChem CID 112617609) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate
PubChem CID112617609
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Namemethyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate
SMILESCCn1c(C(=O)OC)nc2cnccc21
InChIInChI=1S/C10H11N3O2/c1-3-13-8-4-5-11-6-7(8)12-9(13)10(14)15-2/h4-6H,3H2,1-2H3
InChIKeyZXUMLLWZTHYQKL-UHFFFAOYSA-N
XLogP1.24
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate?
The IUPAC name of methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate (CID 112617609) is methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate is CCn1c(C(=O)OC)nc2cnccc21.
What is the InChIKey of methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate?
The InChIKey is ZXUMLLWZTHYQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-3-13-8-4-5-11-6-7(8)12-9(13)10(14)15-2/h4-6H,3H2,1-2H3.
What are the key properties of methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate?
methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate has a molecular weight of 205.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate is sourced from PubChem (CID 112617609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).