methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate

C11H12N2O3 — CID 67366332

IUPACmethyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(OC)ncc2n1C
InChIInChI=1S/C11H12N2O3/c1-13-8(11(14)16-3)4-7-5-10(15-2)12-6-9(7)13/h4-6H,1-3H3
InChIKeyRYMLNGIESQDCKE-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.37
Rot. Bonds2

About methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate

methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 67366332) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID67366332
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(OC)ncc2n1C
InChIInChI=1S/C11H12N2O3/c1-13-8(11(14)16-3)4-7-5-10(15-2)12-6-9(7)13/h4-6H,1-3H3
InChIKeyRYMLNGIESQDCKE-UHFFFAOYSA-N
XLogP1.37
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate (CID 67366332) is methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2cc(OC)ncc2n1C.
What is the InChIKey of methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is RYMLNGIESQDCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13-8(11(14)16-3)4-7-5-10(15-2)12-6-9(7)13/h4-6H,1-3H3.
What are the key properties of methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate?
methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 67366332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).