| CAS Number | 1000516-33-5 |
| Catalog Number | AG00ISD0(AGN-PC-0WAZHQ) |
| Chemical Name | 6-(cyanomethyl)pyridine-3-carbonitrile |
| IUPAC Name | 6-(cyanomethyl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C8H5N3/c9-4-3-8-2-1-7(5-10)6-11-8/h1-2,6H,3H2 |
| InChI Key | XPIUYPRKILGRTK-UHFFFAOYSA-N |
| MDL Number | MFCD09924285 |
| Molecular Formula | C8H5N3 |
| Molecular Weight | 143.1454 |
| SMILES | C(#N)CC1=NC=C(C#N)C=C1 |
| Synonyms | 6-(cyanomethyl)nicotinonitrile,
1000516-33-5,
6-(cyanomethyl)pyridine-3-carbonitrile,
cyanomethylnicotinonitrile,
CTK7C9802,
ZX-RL002897,
FCH877668,
MFCD09924285,
ZINC44370856,
AKOS006310937,
FE-0726,
MCULE-9344307588,
RP09872,
SB21445,
KS-0000253I,
OR303677,
AX8277813,
TR-071374,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.149g/mol |
| Monoisotopic Mass | 143.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number