Basic information
- CAS
16830-24-3- Standard SMILES
COC(=O)c1ccnc(C)c1- InChIKey
HHUNWJWOJPWLNK-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- Methyl 2-methylisonicotinate
- IUPAC
- methyl 2-methylpyridine-4-carboxylate
- English name
- 2-methyl-4-pyridinecarboxylic acid methyl ester
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
methyl 2-methylisonicotinate16830-24-3DTXSID10468273RefChem:354413DTXCID00419092Methyl 2-methylpyridine-4-carboxylateMethyl 2-methylisonicotinic acid2-METHYL-4-PYRIDINECARBOXYLIC ACID METHYL ESTER4-PYRIDINECARBOXYLIC ACID, 2-METHYL-, METHYL ESTERMFCD099917072-Methyl-isonicotinic acid methyl ester2-methylpyridine-4-carboxylic acid methyl ester
Show more names
Methyl 2-methylisopyridin-3-carboxylate4-Pyridinecarboxylicacid,2-methyl-,methylester(9CI)2-methyl-4-Pyridinecarboxylic acid methyl ester (9CI ACI)
methyl2-methylisonicotinatemethyl 2-methyl-isonicotinateSCHEMBL1180311SCHEMBL1505572SCHEMBL31320056HHUNWJWOJPWLNK-UHFFFAOYSA-N2-Methylisonicotinicacid methylesterAKOS006313838
Database identifiers
- CAS
16830-24-3- PubChem CID
- 11542811
- DTXSID
DTXSID10468273- Nikkaji
- J2.156.982H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 108 · 108-110 °C(Press: 19 Torr)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 3.84 · 3.84±0.10(Predicted)
- Appearance
- Yellow to brown Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers73 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海美律医药科技有限公司+86-53530655; +8613916485955 · [email protected]
济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
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]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
26 records
Compound notes
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