3-Amino-5-methylpyridine-2-carbonitrile
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Basic information
- CAS
1001635-30-8- Standard SMILES
Cc1cnc(C#N)c(N)c1- InChIKey
KTVNTMJPGTZBRH-UHFFFAOYSA-N- Molecular formula
- C7H7N3
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.06399724
Names & identifiers
- Preferred name
- 3-Amino-5-methylpyridine-2-carbonitrile
- IUPAC
- 3-amino-5-methylpyridine-2-carbonitrile
- English name
- 3-Amino-5-methylpyridine-2-carbonitrile
- Molecular formula
- C7H7N3
- Molecular weight
- 133.15
Names & synonyms
1001635-30-83-Amino-5-methylpyridine-2-carbonitrileDTXSID30694118RefChem:276547DTXCID00644867691-805-13-Amino-5-methylpicolinonitrile3-AMINO-2-CYANO-5-METHYLPYRIDINE3-AMINO-5-METHYL-PYRIDINE-2-CARBONITRILEMFCD112271852-PYRIDINECARBONITRILE, 3-AMINO-5-METHYL-3-AMINO-5-METHYL-2-PYRIDINECARBONITRILE
Show more names
3-aMino-5-Methylpyridin-2-carbonitrile2-Pyridinecarbonitrile,3-aMino-5-Methyl-3-amino-5-methyl-pyridine-2-carbonitrile - [A72074]3-Amino-5-methylpyridine-2-carbonitrile ISO 9001：2015 REACH3-Amino-5-methylpicolinonitrile, 3-Amino-2-cyano-5-methylpyridine
SCHEMBL125275KTVNTMJPGTZBRH-UHFFFAOYSA-NSBB085840AKOS006323725AB64065CS-W021840PS-5623BL006169
Database identifiers
- CAS
1001635-30-8- PubChem CID
- 53395375
- DTXSID
DTXSID30694118- EC Number
- 691-805-1
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 370.3 · 370.3±42.0 °C(Predicted)
- Density
- 1.18 · 1.18
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- crystal
- pka
- 0.91 · 0.91±0.20(Predicted)
- color
- brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- 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.
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
- hs_code
- 2933399990
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- safety_code
- 45
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Chemistry & industry
Applications
Uses3-Amino-2-cyano-5-methylpyridine is a versatile reactant used in the preparation of new series of orally bioavailable chemokine receptor 9 (CCR9) antagonists with potential use for treatment of inflammatory bowel disease.
Upstream & downstream products
Upstream raw materials
Related reactions
11 records
Compound notes
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