6-(Pyrrolidin-1-yl)nicotinic acid
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Basic information
- CAS
210963-95-4- Standard SMILES
O=C(O)c1ccc(N2CCCC2)nc1- InChIKey
LURIZRKTAXJRKU-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.08987763
Names & identifiers
- Preferred name
- 6-(Pyrrolidin-1-yl)nicotinic acid
- IUPAC
- 6-pyrrolidin-1-ylpyridine-3-carboxylic acid
- English name
- 6-Pyrrolidin-1-yl-nicotinic acid
- Molecular formula
- C10H12N2O2
- Molecular weight
- 192.21
Names & synonyms
210963-95-46-(pyrrolidin-1-yl)nicotinic acid6-Pyrrolidin-1-yl-nicotinic acid6-(1-pyrrolidinyl)nicotinic acid6-(pyrrolidin-1-yl)pyridine-3-carboxylic acidMFCD037912346-pyrrolidin-1-ylpyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 6-(1-pyrrolidinyl)-6-pyrrolidin-1-ylnicotinic acidpyrrolidinylnicotinicacid6-(1-Pyrrolidinyl)-3-pyridinecarboxylic acidZINC170112
Show more names
6-pyrrolidin-1-ylpyridine-3-carboxylicaci2-(Pyrrolidin-1-yl)pyridine-5-carboxylic acid
6-(Pyrrolidin-1-yl)nicotinicacidZINC00170112BAS 04893017A4576CHEMBL394289SCHEMBL1989630SCHEMBL29784322DTXSID90353315
Database identifiers
- CAS
210963-95-4- PubChem CID
- 738055
- DTXSID
DTXSID90353315- ChEMBL
CHEMBL394289
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 259 · 259-261°
- Boiling point
- 408.3 · 408.3±30.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.94 · 2.94±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
2 records
Compound notes
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