- InChI
- InChI=1S/C7H6N4O/c1-12-7-5-6(10-4-11-7)9-3-2-8-5/h2-4H,1H3
- InChI Key
- KCCOKUSVNPDIBJ-UHFFFAOYSA-N
- Formula
- C7H6N4O
- SMILES
- COc1ncnc2nccnc12
- Molecular Weight1
- 162.15
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5009 | Relay (1.0) Calculated Property | |
| ΔfG° | 273.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 170.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | [-1.11; -1.11] |
|
|
| log10WS | -1.11 | Estimated Solubility | |
| log10WS | -1.11 | Rytting (2005) | |
| logPoct/wat | 0.428 | Crippen Calculated Property | |
| McVol | 112.060 | ml/mol | McGowan Calculated Property |
| Pc | 5312.10 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 525.03 | K | Relay (1.0) Calculated Property |
| Tc | 844.07 | K | Relay (1.0) Calculated Property |
| Tfus | 386.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.433 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-methoxypteridine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Estimated Solubility Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
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