Methyl 3-iodopyridine-2-carboxylate
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Basic information
- CAS
73841-41-5- Standard SMILES
COC(=O)c1ncccc1I- InChIKey
ITYQUGKRGXNQSC-UHFFFAOYSA-N- Molecular formula
- C7H6INO2
- Average molar mass
- 263.03 g/mol
- Monoisotopic mass
- 262.94433
Names & identifiers
- Preferred name
- Methyl 3-iodopyridine-2-carboxylate
- IUPAC
- methyl 3-iodopyridine-2-carboxylate
- English name
- 3-Iodopyridine-2-carboxylic acid methyl ester
- Molecular formula
- C7H6INO2
- Molecular weight
- 263.03
Names & synonyms
73841-41-5methyl 3-iodopyridine-2-carboxylateDTXSID40356078RefChem:355064DTXCID50307137Methyl 3-iodopicolinateMFCD018601923-Iodopyridine-2-carboxylic acid methyl ester3-Iodopyridine-2-carboxylic acid Methylester2-Pyridinecarboxylic acid, 3-iodo-, methyl esterMethyl 3-iodo-2-pyridinecarboxylateMethyl3-iodopicolinate
Show more names
Methyl 3-iodo-2-picolinateMethyl 3-iodopyridine-2-carboxylate 97%3-Iodo-2-pyridinecarboxylic acid methyl ester
SCHEMBL1541109ITYQUGKRGXNQSC-UHFFFAOYSA-NSBB102618AKOS027324654DS-11532SY115530Methyl 3-iodopyridine-2-carboxylate, 97%DB-082874
Database identifiers
- CAS
73841-41-5- PubChem CID
- 819397
- DTXSID
DTXSID40356078- Nikkaji
- J3.007.137I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- 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
- 151
Physicochemical properties
- Boiling point
- 298.5 · 298.5±20.0 °C(Predicted)
- Density
- 1.844 · 1.844±0.06 g/cm3(Predicted)
- Flash point
- 110 ℃ · >110℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- solid
- pka
- -0.66 · -0.66±0.10(Predicted)
- InChI
- 1S/C7H6INO2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,1H3
- InChIKey
- ITYQUGKRGXNQSC-UHFFFAOYSA-N
- SMILES
- COC(=O)c1ncccc1I
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- WGK Germany
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
- wgk
- 3
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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