ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate

C12H14N2O3 — CID 10489867

IUPACethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(OC)ccc2n1C
InChIInChI=1S/C12H14N2O3/c1-4-17-12(15)10-7-8-9(14(10)2)5-6-11(13-8)16-3/h5-7H,4H2,1-3H3
InChIKeyLUJNLDWGWUERSO-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.76
Rot. Bonds3

About ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate

ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate (PubChem CID 10489867) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate
PubChem CID10489867
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(OC)ccc2n1C
InChIInChI=1S/C12H14N2O3/c1-4-17-12(15)10-7-8-9(14(10)2)5-6-11(13-8)16-3/h5-7H,4H2,1-3H3
InChIKeyLUJNLDWGWUERSO-UHFFFAOYSA-N
XLogP1.76
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10775338
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ethyl 3-chloro-6-methoxypyridine-2-carboxylate
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ethyl 5-[bis(2-chloroethyl)amino]-1-methylindole-2-carboxylate
CID 10688716
ethyl 4-fluoro-1-methylindole-2-carboxylate
CID 171397337
ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
CID 155083762
ethyl 3-methoxyquinoxaline-6-carboxylate
CID 89443102
ethyl 2-(2-methoxyquinolin-6-yl)acetate
CID 21498743
ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate
CID 118913719
ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate
CID 55189984
methyl 5-ethoxy-1-methylindole-2-carboxylate
CID 4777688

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate (CID 10489867) is ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate is CCOC(=O)c1cc2nc(OC)ccc2n1C.
What is the InChIKey of ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate?
The InChIKey is LUJNLDWGWUERSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-4-17-12(15)10-7-8-9(14(10)2)5-6-11(13-8)16-3/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate?
ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 10489867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).