5-Phenylamino-pyridine-2-carboxylic acid

HCID 12640220

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1ccc(Nc2ccccc2)cn1
InChIKey: SJXVYJBKNRMBKF-UHFFFAOYSA-N
Molecular formula: C12H10N2O2
Average molar mass: 214.22 g/mol
Monoisotopic mass: 214.07422757

Names & identifiers

Preferred name: 5-Phenylamino-pyridine-2-carboxylic acid
IUPAC: 5-anilinopyridine-2-carboxylic acid

Names & synonyms

SCHEMBL69566CHEMBL31116SJXVYJBKNRMBKF-UHFFFAOYSA-N5-Phenylamino-pyridine-2-carboxylic acid5-(phenyl-amino)-pyridine-2-carboxylic acid

Database identifiers

PubChem CID: 12640220
ChEMBL: CHEMBL31116

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 62.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 239

Related reactions

8 records

New reaction record

HRID 103377As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 941050As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1093660As productuspto-grants-2012_03

HRID 1093661As reactantuspto-grants-2012_03

HRID 1177858As reactantuspto-grants-2010_11

HRID 1177859As reactantuspto-grants-2010_11

HRID 1556821As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2326070As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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