Basic information
- CAS
175135-01-0- Standard SMILES
NNC(=O)c1cccnc1Oc1ccccc1- InChIKey
LZIVTMKZXYGBTB-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.08512659
Names & identifiers
- Preferred name
- 2-Phenoxynicotinohydrazide
- IUPAC
- 2-phenoxypyridine-3-carbohydrazide
- English name
- 2-Phenoxypyridine-3-carbohydrazide
- Molecular formula
- C12H11N3O2
- Molecular weight
- 229.23
Names & synonyms
2-Phenoxynicotinohydrazide175135-01-02-phenoxypyridine-3-carbohydrazide2-phenoxypyridine-3-carboxylic acid hydrazideMFCD000526493-Pyridinecarboxylic acid, 2-phenoxy-, hydrazideHMS1521M22Maybridge4_000284MLS000833628SCHEMBL5213184CHEMBL1413549DTXSID20383943
Show more names
2-phenoxynicotinic acid hydrazide
LZIVTMKZXYGBTB-UHFFFAOYSA-N2-phenoxy-nicotinic acid hydrazideHMS2779I23BTB 03059CCG-234685SB86445IDI1_030866SMR000457149
Database identifiers
- CAS
175135-01-0- PubChem CID
- 2797685
- DTXSID
DTXSID20383943- ChEMBL
CHEMBL1413549
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Experimental & physicochemical properties
Solubility31.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 201 · 201-203 °C
- Boiling point
- 161 · 161-163°C
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- pka
- 10.96 · 10.96±0.10(Predicted)
Chemistry & industry
Suppliers3 total
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
6 records
Compound notes
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