3-Aminopyridine-2-carbonitrile
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Basic information
- CAS
42242-11-5- Standard SMILES
N#Cc1ncccc1N- InChIKey
KMHCTFSFWQRZTR-UHFFFAOYSA-N- Molecular formula
- C6H5N3
- Average molar mass
- 119.12 g/mol
- Monoisotopic mass
- 119.04834716
Names & identifiers
- Preferred name
- 3-Aminopyridine-2-carbonitrile
- IUPAC
- 3-aminopyridine-2-carbonitrile
- English name
- 3-Amino-2-pyridinecarbonitrile
- Molecular formula
- C6H5N3
- Molecular weight
- 119.12
Names & synonyms
3-aminopyridine-2-carbonitrileRefChem:497792845-472-642242-11-53-Amino-2-pyridinecarbonitrile3-aminopicolinonitrile3-Amino-2-cyanopyridine3-Amino-pyridine-2-carbonitrileMFCD02181031aminocyanopyridine3-Amino-2cyanopyridineSCHEMBL535712
Show more names
2-Cyano-3-aminopyridine3-Aminopyridin-2-carbonitrile2-Pyridinecarbonitrile, 3-amino-3-Amino-2-cyanopyridine, 3-Aminopicolinonitrile3-Amino-2-pyridinecarbonitrile ISO 9001：2015 REACH
DTXSID603419263-Amino-2-pyridinecarbonitrile #AKOS005199047AC-7682CS-W002919PB18562AS-36026SY012209
Database identifiers
- CAS
42242-11-5- PubChem CID
- 577015
- DTXSID
DTXSID60341926- EC Number
- 845-472-6
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 151 °C · 151°C
- Boiling point
- 368.2 · 368.2±27.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 0.61 · 0.61±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C6H5N3/c7-4-6-5(8)2-1-3-9-6/h1-3H,8H2
- InChIKey
- KMHCTFSFWQRZTR-UHFFFAOYSA-N
- SMILES
- C1(C#N)=NC=CC=C1N
- CAS DataBase Reference
- 42242 · 42242-11-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
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, P317, 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
- ridadr
- 3439
- hs_code
- 2933399990
- risk_code
- 20/21/22-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-Amino-2-cyanopyridine is a pyridine organic compound that can be used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Related reactions
26 records
Compound notes
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