Basic information
- CAS
99-11-6- Standard SMILES
O=C(O)c1c(O)cncc1O- InChIKey
PJXTUHUVFKNZEM-UHFFFAOYSA-N- Molecular formula
- C6H5NO4
- Average molar mass
- 155.11 g/mol
- Monoisotopic mass
- 155.02185764
Names & identifiers
- Preferred name
- 3,5-Dihydroxypyridine-4-carboxylic acid
- IUPAC
- 3,5-dihydroxypyridine-4-carboxylic acid
- English name
- Citrazinic acid
- Molecular formula
- C6H5NO4
- Molecular weight
- 155.11
Names & synonyms
3,5-dihydroxypyridine-4-carboxylic acid6-Carboxy-1-deazauracilSCHEMBL238538774-Carboxy-3,5-dihydroxyzauracil2,6-DIHYDROXYISONICOTINIC ACID2,6-DIHYDROXYPYRIDINE-4-CARBOXYLIC ACID36470CGA-129218CitrazinicaciCITRAZANICACIDcitrazinicacfdAKOS NCG1-0104
Show more names
itrazinic acidCltrazinic acid
Database identifiers
- CAS
99-11-6- PubChem CID
- 474189
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Boiling point
- 278.88 °C · 278.88°C (rough estimate)
- Density
- 0.65 g/cm3 · 0.65 g/cm3
- refractive index
- 1.5423 · 1.5423 (estimate)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- practically insoluble
- pka
- 2.54 · 2.54±0.20(Predicted)
- form
- Powder
- color
- Yellow
- PH
- 3.1 · 3.1-3.5 (100g/l, H2O)(slurry)
- Water Solubility
- practically insoluble
- Merck
- 14 · 14,2325
- BRN
- 383736 · 383736
- InChI
- 1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)
- InChIKey
- CSGQJHQYWJLPKY-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cc(O)nc(O)c1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- NS1400000
- hs_code
- 29333999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-36/37/39-22
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280g-P305+P351+P338
Chemistry & industry
Applications
Uses2,6-Dihydroxypyridine-4-carboxylic acid was used to prepare 2,6-dibromo-4-(hexoxymethyl)pyridine. It was also used to synthesize the derivatives of oxazinones and pyrimidinones.
Uses2,6-Dihydroxypyridine-4-carboxylic acid (citrazinic acid) was used to prepare 2,6-dibromo-4-(hexoxymethyl)pyridine. It was also used to synthesize the derivatives of oxazinones and pyrimidinones.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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