2-Iodopyridine-3-carboxylic acid
Basic information
- CAS
6042-35-9- Standard SMILES
O=C(O)c1cccnc1I- InChIKey
KEYRTRGLKSAGJN-UHFFFAOYSA-N- Molecular formula
- C6H4INO2
- Average molar mass
- 249.01 g/mol
- Monoisotopic mass
- 248.92868
Names & identifiers
- Preferred name
- 2-Iodopyridine-3-carboxylic acid
- IUPAC
- 2-iodopyridine-3-carboxylic acid
- English name
- 2-Iodopyridine-3-carboxylic acid
- Molecular formula
- C6H4INO2
- Molecular weight
- 249.01
Names & synonyms
6042-35-92-Iodopyridine-3-carboxylic acidDTXSID20501640RefChem:473797DTXCID10452450972-976-42-Iodonicotinic acid2-Iodo-nicotinic acidMFCD165563002-Iodo nicotinic acidiodonicotinic acid2-Iodonicotinicacid
Show more names
Pyridine 2-iodo3-formate2-Iodo-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 2-iodo-
SCHEMBL2902900SCHEMBL30863406AKOS024261998SB37892BS-29080DB-083323CS-0212763EN300-124439
Database identifiers
- CAS
6042-35-9- PubChem CID
- 12535316
- DTXSID
DTXSID20501640- EC Number
- 972-976-4
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 186 · 186-188 °C(Solv: acetone (67-64-1))
- Boiling point
- 350 · 350.0±27.0 °C(Predicted)
- Density
- 2.123 · 2.123±0.06 g/cm3(Predicted)
- pka
- 2.13 · 2.13±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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