methyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate

C9H8N2O2 — CID 126421758

IUPACmethyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1nccc2c1=NCC=2
InChIInChI=1S/C9H8N2O2/c1-13-9(12)8-7-6(2-4-10-7)3-5-11-8/h2-3,5H,4H2,1H3
InChIKeyJAVVSIUXOXMECY-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.72
Rot. Bonds1

About methyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate

methyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate (PubChem CID 126421758) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is methyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate
PubChem CID126421758
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Namemethyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1nccc2c1=NCC=2
InChIInChI=1S/C9H8N2O2/c1-13-9(12)8-7-6(2-4-10-7)3-5-11-8/h2-3,5H,4H2,1H3
InChIKeyJAVVSIUXOXMECY-UHFFFAOYSA-N
XLogP-0.72
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate
CID 68806043
ethyl 4H-pyrrolo[2,3-c]pyridine-5-carboxylate
CID 68832306
methyl 7H-indole-7-carboxylate
CID 69184912
3-Ethylpyrrolo[2,3-e]indole-2-carboxylic acid
CID 69744820
methyl 7H-pyrrolo[3,2-c]pyridine-6-carboxylate
CID 97292149
Methyl 2-indol-3a-ylacetate
CID 140986851
Methyl 6-oxoisoindole-1-carboxylate
CID 141169055
methyl 4H-pyrido[3,4-b]indole-3-carboxylate
CID 175828193
methyl (7R)-7H-indole-7-carboxylate
CID 124581920
methyl (7S)-7H-indole-7-carboxylate
CID 124581921
Ethyl cyclopenta[c]pyrrole-3-carboxylate
CID 141442154

Frequently Asked Questions

What is the IUPAC name of methyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate (CID 126421758) is methyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate is COC(=O)c1nccc2c1=NCC=2.
What is the InChIKey of methyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate?
The InChIKey is JAVVSIUXOXMECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-13-9(12)8-7-6(2-4-10-7)3-5-11-8/h2-3,5H,4H2,1H3.
What are the key properties of methyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate?
methyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate has a molecular weight of 176.17 g/mol, XLogP of -0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2H-pyrrolo[2,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 126421758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).