Methyl 2-(5-chlorofuro[3,2-b]pyridin-3-yl)acetate

HCID 10198435

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)Cc1coc2ccc(Cl)nc12
InChIKey: DPHUPVZZHQHHIN-UHFFFAOYSA-N
Molecular formula: C10H8ClNO3
Average molar mass: 225.63 g/mol

Names & identifiers

Preferred name: Methyl 2-(5-chlorofuro[3,2-b]pyridin-3-yl)acetate
IUPAC: methyl 2-(5-chlorofuro[3,2-b]pyridin-3-yl)acetate

Names & synonyms

289714-31-4methyl 2-(5-chlorofuro[3,2-b]pyridin-3-yl)acetatemethyl 2-{5-chlorofuro[3,2-b]pyridin-3-yl}acetateSCHEMBL2698457DPHUPVZZHQHHIN-UHFFFAOYSA-NAT48097DB-158125

Database identifiers

PubChem CID: 10198435
Nikkaji: J1.857.050E

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 249

Related reactions

7 records

New reaction record

HRID 40354As reactantuspto-grants-2013_09

HRID 40359As reactantuspto-grants-2013_09

HRID 219240As reactantuspto-grants-2012_06

HRID 287600As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 823661As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 2176649As reactantuspto-grants-2015_06

HRID 2176654As reactantuspto-grants-2015_06

Compound notes

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