| CAS Number | 667399-78-2 |
| Catalog Number | AG00J2N1(AGN-PC-0WB61T) |
| Chemical Name | 3-nitro-N-(3-pyridinylmethyl)-2-pyridinamine |
| IUPAC Name | 3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine |
| InChI | InChI=1S/C11H10N4O2/c16-15(17)10-4-2-6-13-11(10)14-8-9-3-1-5-12-7-9/h1-7H,8H2,(H,13,14) |
| InChI Key | CUHDKFXWPRDELO-UHFFFAOYSA-N |
| MDL Number | MFCD00120896 |
| Molecular Formula | C11H10N4O2 |
| Molecular Weight | 230.2227 |
| SMILES | [N+](=O)([O-])C1=CC=CN=C1NCC1C=CC=NC=1 |
| Synonyms | 667399-78-2,
3-nitro-N-(3-pyridinylmethyl)-2-pyridinamine,
3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine,
Maybridge1_003317,
AC1MD41O,
Oprea1_862397,
HMS550O17,
CCG-47019,
MFCD00120896,
ZINC20135289,
AKOS001290020,
MCULE-9205555679,
W-6501,
3-nitro-N-[(pyridin-3-yl)methyl]pyridin-2-amine,
SR-01000636676-1,
Z31216605,
CID2805391,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.227g/mol |
| Monoisotopic Mass | 230.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number