Basic information
- CAS
319428-83-6- Standard SMILES
Cc1cc(I)ccc1NC(=O)c1cccnc1- InChIKey
GJIODWMWVXVWQE-UHFFFAOYSA-N- Molecular formula
- C13H11IN2O
- Average molar mass
- 338.14 g/mol
- Monoisotopic mass
- 337.99161
Names & identifiers
- Preferred name
- N-(4-Iodo-2-methylphenyl)nicotinamide
- IUPAC
- N-(4-iodo-2-methylphenyl)pyridine-3-carboxamide
- English name
- CHEMBRDG-BB 5343623
- Molecular formula
- C13H11IN2O
- Molecular weight
- 338.14
Names & synonyms
N-(4-IODO-2-METHYLPHENYL)NICOTINAMIDE319428-83-6N-(4-iodo-2-methylphenyl)pyridine-3-carboxamideMFCD00783702N-(4-Iodo-2-methyl-phenyl)pyridine-3-carboxamideCCG-6728CBMicro_018303Cambridge id 5343623Oprea1_594291C13H11IN2ODTXSID70354163BBL029009
Show more names
CHEMBRDG-BB 53436233-Pyridinecarboxamide, N-(4-iodo-2-methylphenyl)-N-(4-iodo-2-methylphenyl)nicotinamide(SALTDATA: FREE)
STK412631AKOS001568190VS-09075BIM-0018434.P001DB-188446CS-0318110ST50909802N-(4-iodo-2-methylphenyl)-3-pyridylcarboxamide
Database identifiers
- CAS
319428-83-6- PubChem CID
- 765261
- DTXSID
DTXSID70354163
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 338.5 · 338.5±37.0 °C(Predicted)
- Density
- 1.691 · 1.691±0.06 g/cm3(Predicted)
- pka
- 11.55 · 11.55±0.70(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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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