Basic information
- CAS
13120-39-3- Standard SMILES
O=C(O)C(=O)Nc1ccccn1- InChIKey
RQLBRIIHVJSCTG-UHFFFAOYSA-N- Molecular formula
- C7H6N2O3
- Average molar mass
- 166.13 g/mol
- Monoisotopic mass
- 166.03784206
Names & identifiers
- Preferred name
- N-(2-Pyridyl)oxamic acid
- IUPAC
- 2-oxo-2-(pyridin-2-ylamino)acetic acid
- English name
- N-(2-Pyridyl)oxamic Acid
- Molecular formula
- C7H6N2O3
- Molecular weight
- 166.13
Names & synonyms
13120-39-3N-(2-PYRIDYL)OXAMIC ACID2-oxo-2-(pyridin-2-ylamino)acetic acidN-(2-Pyridinyl)oxamic Acid[(PYRIDIN-2-YL)CARBAMOYL]FORMIC ACIDMFCD010012452-Oxo-2-(2-pyridinylamino)acetic AcidBAS 00440966Acetic acid, oxo(2-pyridinylamino)-Oxamic acid, (2-pyridyl)-SCHEMBL7165468DTXSID20339405
Show more names
Impurity 7 of CloxibLornoxicam Impurity 7Tenoxicam impurities1016N-(2-Pyridinyl)oxamic Acid HydrochlAcetic acid, 2-oxo-2-(2-pyridinylamino)-
RQLBRIIHVJSCTG-UHFFFAOYSA-NOxo(2-pyridinylamino)acetic acid #Oxo[(pyridin-2-yl)amino]acetic acid2-oxo-2-(2-pyridylamino)acetic acidAKOS009479935FP273322-oxo-2-(pyridin-2-ylamino)aceticacidOxamic acid monoamide, N-(2-pyridyl)-
Database identifiers
- CAS
13120-39-3- PubChem CID
- 555963
- DTXSID
DTXSID20339405
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 196 · 196-198℃
- Density
- 1.505 · 1.505±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -0.71 · -0.71±0.20(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C7H6N2O3/c10-6(7(11)12)9-5-3-1-2-4-8-5/h1-4H,(H,11,12)(H,8,9,10)
- InChIKey
- RQLBRIIHVJSCTG-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C(=O)NC1=NC=CC=C1
Chemistry & industry
Applications
UsesA metabolite of Tenoxicam (T019500). A degradation product and pathway of Lornoxicam.
Upstream & downstream products
Upstream raw materials
Suppliers54 total
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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