Basic information
- CAS
321533-62-4- Standard SMILES
COC(=O)c1ccc(-n2cccn2)nc1- InChIKey
ZNCLEEDBRQOXRG-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.06947653
Names & identifiers
- Preferred name
- methyl 6-(1H-pyrazol-1-yl)nicotinate
- IUPAC
- methyl 6-pyrazol-1-ylpyridine-3-carboxylate
- English name
- Methyl 6-(1H-pyrazol-1-yl)pyridine-3-carboxylate
- Molecular formula
- C10H9N3O2
- Molecular weight
- 203.2
Names & synonyms
321533-62-4methyl 6-(1H-pyrazol-1-yl)nicotinateDTXSID40395801RefChem:356211DTXCID30346660Methyl 6-(1H-pyrazol-1-yl)pyridine-3-carboxylate6-Pyrazol-1-yl-nicotinic acid methyl estermethyl 6-pyrazol-1-ylpyridine-3-carboxylateMFCD00140746methyl 6-(1-pyrazolyl)nicotinateF2199-0312Oprea1_340937
Show more names
6-Pyrazol-1-yl-nicotinic acid methyl ester ,97%Methyl 6-(1H-pyrazol-1-yl)-3-pyridinecarboxylate6-(1-pyrazolyl)-3-pyridinecarboxylic acid methyl ester3-Pyridinecarboxylic acid, 6-(1H-pyrazol-1-yl)-, methyl ester
SCHEMBL63835ZNCLEEDBRQOXRG-UHFFFAOYSA-NSMSSF-0533826AB1544methyl6-(1H-pyrazol-1-yl)nicotinateAKOS0050847192F-318SSB36579
Database identifiers
- CAS
321533-62-4- PubChem CID
- 3741563
- DTXSID
DTXSID40395801
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 330.8 · 330.8±27.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -0.42 · -0.42±0.19(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 3 · 3/9-36/37
- HS Code
- 29331990 · 29331990
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
- hs_code
- 29331990
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 3/9-36/37
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers38 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
南京唯博特医药科技有限公司18066048793; 18014498793 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
6 records
Compound notes
Loading…