methyl 1-(pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

HCID 21110085

Notes Reactions

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Basic information

Standard SMILES: COC(=O)c1cn(-c2ccccn2)c2ncccc12
InChIKey: NRGFGBSGCARZLM-UHFFFAOYSA-N
Molecular formula: C14H11N3O2
Average molar mass: 253.26 g/mol
Monoisotopic mass: 253.0851266

Names & identifiers

Preferred name: methyl 1-(pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
IUPAC: methyl 1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxylate

Names & synonyms

SCHEMBL4062645NRGFGBSGCARZLM-UHFFFAOYSA-NDB-091592methyl 1-(pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylatemethyl 1-(pyridine-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate808138-05-8

Database identifiers

PubChem CID: 21110085

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 57 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 337

Related reactions

6 records

New reaction record

HRID 529046As productuspto-grants-2016_05

HRID 529047As reactantuspto-grants-2016_05

HRID 1130212As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1471430As productuspto-grants-2015_04

HRID 1471431As reactantuspto-grants-2015_04

HRID 1766158As reactantuspto-grants-2007_06

Compound notes

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