2,4-Dichloro-6-[(pyridin-2-ylamino)methyl]phenol
Basic information
- CAS
692266-18-5- Standard SMILES
Oc1c(Cl)cc(Cl)cc1CNc1ccccn1- InChIKey
OVNBKDROKHKFFR-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2N2O
- Average molar mass
- 269.12 g/mol
- Monoisotopic mass
- 268.0170183
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-[(pyridin-2-ylamino)methyl]phenol
- IUPAC
- 2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol
Names & synonyms
2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol692266-18-52,4-dichloro-6-((pyridin-2-ylamino)methyl)phenol2,4-Dichloro-6-(pyridin-2-ylaminomethyl)-phenolMLS001205607CHEMBL1363564DTXSID901323890HMS2840F09STK066929AKOS000505762SMR0005232862,4-Dichloro-6-{[(pyridin-2-yl)amino]methyl}phenol
Database identifiers
- CAS
692266-18-5- PubChem CID
- 889392
- DTXSID
DTXSID901323890- ChEMBL
CHEMBL1363564
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Experimental & physicochemical properties
Solubility3.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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