Basic information
- CAS
668462-40-6- Standard SMILES
NC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1- InChIKey
IUCLFDYHPORJNR-UHFFFAOYSA-N- Molecular formula
- C11H14N4O3
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.10659032
Names & identifiers
- Preferred name
- 1-(3-Nitropyridin-2-yl)piperidine-4-carboxamide
- IUPAC
- 1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide
- English name
- 1-(3-Nitropyridin-2-yl)piperidine-4-carboxamide
- Molecular formula
- C11H14N4O3
- Molecular weight
- 250.25
Names & synonyms
1-(3-nitropyridin-2-yl)piperidine-4-carboxamide668462-40-6DTXSID30384461RefChem:224583DTXCID00335485MFCD00102980Maybridge1_003266Oprea1_337258MLS000718900SCHEMBL2078675CHEMBL1461560HMS550M10
Show more names
4-Piperidinecarboxamide, 1-(3-nitro-2-pyridinyl)-2-(4-Carbamoylpiperidin-1-yl)-3-nitropyridine, 4-Carbamoyl-1-(3-nitropyridin-2-yl)piperidine
HMS2730E07STK212750AKOS000588552AS-83228SMR000291168CS-03196071-(3-nitro-2-pyridyl)piperidine-4-carboxamideD85579
Database identifiers
- CAS
668462-40-6- PubChem CID
- 2805612
- DTXSID
DTXSID30384461- ChEMBL
CHEMBL1461560
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
Solubility>37.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 169 · 169-171
- Boiling point
- 511.5 · 511.5±50.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 16.28 · 16.28±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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