Methyl 3-fluoro-6-methylpyridine-2-carboxylate
Basic information
- CAS
1256822-15-7- Standard SMILES
COC(=O)c1nc(C)ccc1F- InChIKey
KBHAWHDZQVRDHM-UHFFFAOYSA-N- Molecular formula
- C8H8FNO2
- Average molar mass
- 169.15 g/mol
- Monoisotopic mass
- 169.05390666
Names & identifiers
- Preferred name
- Methyl 3-fluoro-6-methylpyridine-2-carboxylate
- IUPAC
- methyl 3-fluoro-6-methylpyridine-2-carboxylate
- English name
- Methyl 3-fluoro-6-Methylpyridine-2-carboxylate
- Molecular formula
- C8H8FNO2
- Molecular weight
- 169.15
Names & synonyms
1256822-15-7Methyl 3-fluoro-6-methylpyridine-2-carboxylateRefChem:815458889-433-1Methyl 3-fluoro-6-methylpicolinateMFCD18258174SCHEMBL25198769Methyl3-fluoro-6-methylpicolinateGAC82215SY128256DB-143090D79814
Show more names
3-Fluoro-6-methyl-pyridine-2-carboxylic acid methyl ester2-Pyridinecarboxylic acid, 3-fluoro-6-methyl-, methyl ester
methyl 3-fluoro-6-methyl-pyridine-2-carboxylateEN300-23908464F840453
Database identifiers
- CAS
1256822-15-7- PubChem CID
- 97289397
- EC Number
- 889-433-1
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 243.5 · 243.5±40.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -0.54 · -0.54±0.10(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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Related reactions
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Compound notes
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