Basic information
- CAS
1956379-76-2- Standard SMILES
N#CC1(c2ccc(C(=O)O)cn2)CC1- InChIKey
ONTIWIZQZQPCLP-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
Names & identifiers
- Preferred name
- 6-(1-Cyanocyclopropyl)nicotinic acid
- IUPAC
- 6-(1-cyanocyclopropyl)pyridine-3-carboxylic acid
- English name
- 6-(1-Cyanocyclopropyl)nicotinic acid
- Molecular formula
- C10H8N2O2
- Molecular weight
- 188.18
Names & synonyms
6-(1-Cyanocyclopropyl)nicotinic acid1956379-76-2MFCD299212976-(1-cyanocyclopropyl)pyridine-3-carboxylic acidSCHEMBL21816131SCHEMBL309082016-(1-Cyanocyclopropyl)nicotinicacidSB54319DB-428107F51236F5289746-(1-Cyanocyclopropyl)-3-pyridinecarboxylic acid
Show more names
3-Pyridinecarboxylic acid, 6-(1-cyanocyclopropyl)-
Database identifiers
- CAS
1956379-76-2
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 435.4 · 435.4±40.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 2.35 · 2.35±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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
西安瑞成医药科技有限责任公司18220540598; 18291828687 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
西安峥豪生物科技有限责任公司19829389091 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
Huadong Medicine (Xi'an)Bodyguard Pharmaceutical Co.,Ltd.+86-029-86185165 +86-18629664246 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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