(2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-c)pyridin-5-yl)acetonitrile
Basic information
- CAS
6599-85-5- Standard SMILES
Cc1ncc(CC#N)c2c1OC(C)(C)OC2- InChIKey
PKWJQUPIUAIORD-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- (2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-c)pyridin-5-yl)acetonitrile
- IUPAC
- 2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)acetonitrile
Names & synonyms
(2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-c)pyridin-5-yl)acetonitrile6599-85-51RN896AZS3UNII-1RN896AZS3NSC 106482NSC-106482NSC-118227DTXSID602162012,2,8-TRIMETHYL-4H-1,3-DIOXINO(4,5-C)PYRIDINE-5-ACETONITRILE4H-1,3-DIOXINO(4,5-C)PYRIDINE-5-ACETONITRILE, 2,2,8-TRIMETHYL-4H-M-DIOXINO(4,5-C)PYRIDINE-5-ACETONITRILE, 2,2,8-TRIMETHYL-(2,2,8-Trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)acetonitrile
Show more names
RefChem:68499DTXCID20138692NSC1064822-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)acetonitrileSCHEMBL4929288NSC118227(2,2,8-Trimethyl-2H,4H-[1,3]dioxino[4,5-c]pyridin-5-yl)acetonitrile
Database identifiers
- CAS
6599-85-5- PubChem CID
- 267308
- DTXSID
DTXSID60216201- UNII
- 1RN896AZS3
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…