4-Amino-2-hydroxybenzonitrile

HCID 12468682

Notes Reactions

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Basic information

Standard SMILES: N#Cc1ccc(N)cc1O
InChIKey: JSZNEHKRXXALJZ-UHFFFAOYSA-N
Molecular formula: C7H6N2O
Average molar mass: 134.14 g/mol

Names & identifiers

Preferred name: 4-Amino-2-hydroxybenzonitrile
IUPAC: 4-amino-2-hydroxybenzonitrile

Names & synonyms

4-AMINO-2-HYDROXYBENZONITRILE67608-58-6Benzonitrile, 4-amino-2-hydroxy-MFCD098390914-amino-2-hydroxy-benzonitrileSCHEMBL2029743JSZNEHKRXXALJZ-UHFFFAOYSA-NAKOS006328568AB53481DS-11925SY361865CS-0044060

Show more names

S10894F517653

Database identifiers

PubChem CID: 12468682

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 70 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 160

Related reactions

8 records

New reaction record

HRID 97164As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1129846As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1473972As reactantuspto-grants-2015_04

HRID 1474013As reactantuspto-grants-2015_04

HRID 1474015As reactantuspto-grants-2015_04

HRID 1800486As productuspto-grants-2013_01

HRID 1800488As reactantuspto-grants-2013_01

HRID 2343687As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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