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4-(2-fluoropyridin-3-yl)-5H-pyrrolo[3,2-d]pyrimidine

HCID 59627366
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1ncccc1-c1ncnc2cc[nH]c12
InChIKey
BWWOHOWRTZBCER-UHFFFAOYSA-N
Molecular formula
C11H7FN4
Average molar mass
214.2 g/mol

Names & identifiers

Preferred name
4-(2-fluoropyridin-3-yl)-5H-pyrrolo[3,2-d]pyrimidine
IUPAC
4-(2-fluoro-3-pyridinyl)-5H-pyrrolo[3,2-d]pyrimidine

Names & synonyms

SCHEMBL3639337BWWOHOWRTZBCER-UHFFFAOYSA-N4-(2-fluoropyridin-3-yl)-5H-pyrrolo[3,2-d]pyrimidine

Database identifiers

PubChem CID
59627366

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
54.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
250

Related reactions

4 records
New reaction record
HRID 293386 reaction equation
HRID 293386As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 670961 reaction equation
HRID 670961As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1042265 reaction equation
HRID 1042265As productuspto-grants-2013_10
HRID 1042278 reaction equation
HRID 1042278As reactantuspto-grants-2013_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes