(6-Chloro-4-(phenylamino)pyridin-3-yl)methanol

HCID 86620159

Notes Reactions

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Basic information

Standard SMILES: OCc1cnc(Cl)cc1Nc1ccccc1
InChIKey: ISLHXDMXTFQHTF-UHFFFAOYSA-N
Molecular formula: C12H11ClN2O
Average molar mass: 234.68 g/mol

Names & identifiers

Preferred name: (6-Chloro-4-(phenylamino)pyridin-3-yl)methanol
IUPAC: (4-anilino-6-chloro-3-pyridinyl)methanol

Names & synonyms

1012878-95-3(6-chloro-4-(phenylamino)pyridin-3-yl)methanolSCHEMBL4421499ISLHXDMXTFQHTF-UHFFFAOYSA-NDA-36289(6-chloro-4-phenylamino-pyridin-3-yl)-methanol

Database identifiers

PubChem CID: 86620159

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 45.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 209

Related reactions

4 records

New reaction record

HRID 176514As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 316246As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1930298As productuspto-grants-2012_05

HRID 1930299As reactantuspto-grants-2012_05

Compound notes

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