(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-(4-iodo-pyridin-2-yl)-amine

HCID 57808271

Notes Reactions

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Basic information

Standard SMILES: Ic1ccnc(Nc2ccc3c(c2)OCCO3)c1
InChIKey: POBKHHBYLGVWGL-UHFFFAOYSA-N
Molecular formula: C13H11IN2O2
Average molar mass: 354.14 g/mol

Names & identifiers

Preferred name: (2,3-Dihydro-benzo[1,4]dioxin-6-yl)-(4-iodo-pyridin-2-yl)-amine
IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-iodopyridin-2-amine

Names & synonyms

SCHEMBL4000652POBKHHBYLGVWGL-UHFFFAOYSA-N(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-(4-iodo-pyridin-2-yl)-amine

Database identifiers

PubChem CID: 57808271

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 280

Related reactions

23 records

New reaction record

HRID 91485As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 97865As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 108518As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 284432As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 730301As productuspto-grants-2009_09

HRID 730302As reactantuspto-grants-2009_09

HRID 730303As reactantuspto-grants-2009_09

HRID 730304As reactantuspto-grants-2009_09

Compound notes

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