methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate

C10H11N3O2 — CID 114793213

IUPACmethyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate
SMILESCOC(=O)Cc1nc2ccncc2n1C
InChIInChI=1S/C10H11N3O2/c1-13-8-6-11-4-3-7(8)12-9(13)5-10(14)15-2/h3-4,6H,5H2,1-2H3
InChIKeyUPTAFCQGRCDGRV-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.68
Rot. Bonds2

About methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate

methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate (PubChem CID 114793213) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate
PubChem CID114793213
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Namemethyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate
SMILESCOC(=O)Cc1nc2ccncc2n1C
InChIInChI=1S/C10H11N3O2/c1-13-8-6-11-4-3-7(8)12-9(13)5-10(14)15-2/h3-4,6H,5H2,1-2H3
InChIKeyUPTAFCQGRCDGRV-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate?
The IUPAC name of methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate (CID 114793213) is methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate?
The canonical SMILES for methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate is COC(=O)Cc1nc2ccncc2n1C.
What is the InChIKey of methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate?
The InChIKey is UPTAFCQGRCDGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13-8-6-11-4-3-7(8)12-9(13)5-10(14)15-2/h3-4,6H,5H2,1-2H3.
What are the key properties of methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate?
methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate has a molecular weight of 205.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate is sourced from PubChem (CID 114793213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).